A0A077Z1F6_TRITR Loading...

Heat shock protein 90

AlphaFold DB , UniProt , Accession A0A077Z1F6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 726 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.2	Very low	46.3	Very low	244 Å²	244	141.6 Å²	141.6	100%	1.202	86%	0.864	S	S	*	*				0	140.6	0	-78.5	-144.6	-93.3	0	0	107.8
2	A	41.4	Very low	46.5	Very low	94 Å²	94	136.4 Å²	136.4	78%	0.777	86%	0.86	S	S	*	*			trans	75.1	90.3	-173.2	0	0	0	0	0	113.9
3	S	44.5	Very low	47.2	Very low	117 Å²	117	140.1 Å²	140.1	82%	0.818	86%	0.86	S	S	*	*				77.5	107.7	87.6	65.7	0	0	0	0	110.4
4	G	40.1	Very low	48.9	Very low	77 Å²	77	136.9 Å²	136.9	79%	0.794	85%	0.846	S	S	*	*				115.9	82.8	52.2	0	0	0	0	0	106.1
5	V	52.1	Low	51	Low	145 Å²	145	136.9 Å²	136.9	88%	0.879	85%	0.845	S	S	*	*			trans	-115.4	116.7	169.6	179.3	0	0	0	0	106.3	A7	V5-A7 PolarHBondContact O-N 2.74Å
6	Q	46	Very low	53.2	Low	182 Å²	182	136.9 Å²	136.9	85%	0.85	83%	0.832	S	S	*	*			trans	-54.9	127.5	179.6	-78.8	154.1	-63.7	0	0	110.2	D8	Q6-D8 PolarHBondContact O-N 3.4Å
7	A	47.6	Very low	55.3	Low	98 Å²	98	136.6 Å²	136.6	81%	0.81	83%	0.831	S	S	*	*			trans	-69.8	107.6	163.1	0	0	0	0	0	107.6	V5 A9	V5-A7 PolarHBondContact O-N 2.74Å; A7-A9 VanDerWaalsContact C-N 3.34Å; A7-A9 PolarHBondContact O-N 3.04Å
8	D	52.1	Low	57.2	Low	158 Å²	158	137.7 Å²	137.7	85%	0.845	82%	0.823	S	S	*	*			trans	-63.9	101.5	157.6	-86.4	-32.4	0	0	0	107.3	Q6 N10	Q6-D8 PolarHBondContact O-N 3.4Å; D8-N10 PolarHBondContact O-N 3.36Å
9	A	45.4	Very low	58.9	Low	98 Å²	98	135.2 Å²	135.2	81%	0.81	82%	0.818	S	S	*	*			trans	-70.2	80.3	165.8	0	0	0	0	0	108.1	A7	A7-A9 VanDerWaalsContact C-N 3.34Å; A7-A9 PolarHBondContact O-N 3.04Å
10	N	51.1	Low	60.4	Low	159 Å²	159	139.1 Å²	139.1	85%	0.85	82%	0.824	S	S	*	*			trans	-82.9	115.3	156	-132.4	14.2	0	0	0	106.5	D8 G12	D8-N10 PolarHBondContact O-N 3.36Å; N10-G12 PolarHBondContact O-N 3.31Å
11	E	48.1	Very low	61.7	Low	186 Å²	186	141.7 Å²	141.7	87%	0.869	83%	0.828	S	S	*	*			trans	-52.7	105.7	-178.3	-67.8	177	146.1	0	0	111.3	E13	E11-E13 VanDerWaalsContact C-N 3.33Å; E11-E13 PolarHBondContact O-N 3.32Å
12	G	47.8	Very low	63.7	Low	79 Å²	79	133.5 Å²	133.5	81%	0.814	80%	0.799	S	S	*	*			trans	26.4	45.7	141.7	0	0	0	0	0	121	N10 S14	N10-G12 PolarHBondContact O-N 3.31Å; G12-S14 PolarHBondContact O-N 2.9Å; G12-S14 VanDerWaalsContact O-N 3.13Å
13	E	55.5	Low	65.9	Low	184 Å²	184	134.5 Å²	134.5	86%	0.86	79%	0.788	S	S	*	*			trans	-61.9	113.7	161.4	-78.4	-174.4	165.1	0	0	108.7	E11 V15	E11-E13 VanDerWaalsContact C-N 3.33Å; E11-E13 PolarHBondContact O-N 3.32Å; E13-V15 PolarHBondContact O-N 3.49Å
14	S	71.5	Confident	67.8	Low	96 Å²	96	133.8 Å²	133.8	67%	0.671	77%	0.774	S	S	*	*			trans	-62.7	118.2	176	50.8	0	0	0	0	109.6	G12 E16	G12-S14 PolarHBondContact O-N 2.9Å; G12-S14 VanDerWaalsContact O-N 3.13Å; S14-E16 PolarHBondContact O-N 2.95Å; S14-E16 VanDerWaalsContact O-N 3.12Å
15	V	80.3	Confident	69.7	Low	136 Å²	136	132.9 Å²	132.9	82%	0.824	76%	0.759	S	S	*	*			trans	-64.4	113.1	174.1	178.6	0	0	0	0	109.1	E13	E13-V15 PolarHBondContact O-N 3.49Å
16	E	86.5	Confident	71.3	Confident	137 Å²	137	131.3 Å²	131.3	64%	0.64	74%	0.742	S	S	*	*			trans	-93.4	128.2	172.7	-65.8	-177	-172	0	0	110.2	S14 F18	S14-E16 PolarHBondContact O-N 2.95Å; S14-E16 VanDerWaalsContact O-N 3.12Å; E16-F18 HydrophobicContact CB-CD2 4.4Å; E16-F18 HydrophobicContact CB-CE2 3.56Å; E16-F18 HydrophobicContact CB-CZ 4.02Å; E16-F18 VanDerWaalsContact OE2-CZ 3.22Å; E16-F18 WeakPolarHBondContact OE2-CZ 3.34Å
17	T	88.6	Confident	73.2	Confident	132 Å²	132	125.1 Å²	125.1	81%	0.81	71%	0.714	S	S	*	*			trans	-108.4	124.9	178.5	-59.4	0	0	0	0	109.3
18	F	90.1	Very high	75	Confident	157 Å²	157	121.1 Å²	121.1	69%	0.689	68%	0.679	S	S	*	*			trans	-116.6	143.3	176.4	-60.7	-88.7	0	0	0	110.1	E16	E16-F18 HydrophobicContact CB-CD2 4.4Å; E16-F18 HydrophobicContact CB-CE2 3.56Å; E16-F18 HydrophobicContact CB-CZ 4.02Å; E16-F18 VanDerWaalsContact OE2-CZ 3.22Å; E16-F18 WeakPolarHBondContact OE2-CZ 3.34Å
19	A	89.8	Confident	76.6	Confident	89 Å²	89	116.4 Å²	116.4	74%	0.736	66%	0.658	S	S	*	*			trans	-74.9	143.9	170	0	0	0	0	0	110	Q21	A19-Q21 PolarHBondContact O-N 3.45Å
20	F	89.2	Confident	78.5	Confident	214 Å²	214	115.7 Å²	115.7	94%	0.939	64%	0.641	S	S	*	*			trans	-60.4	133.4	171.7	-71.5	-77.5	0	0	0	110.4
21	Q	86.3	Confident	80.1	Confident	193 Å²	193	108.2 Å²	108.2	90%	0.902	60%	0.6	S	S	*	*			trans	-112.1	152.9	172	-64.6	-172.5	-17.6	0	0	109.4	A19	A19-Q21 PolarHBondContact O-N 3.45Å
22	A	84.4	Confident	81.8	Confident	72 Å²	72	100.2 Å²	100.2	60%	0.595	56%	0.563	S	S	*	*			trans	-131	132.5	176.1	0	0	0	0	0	110	I24 L27	A22-I24 PolarHBondContact O-N 2.85Å; A22-I24 VanDerWaalsContact O-N 3.16Å; A22-L27 HydrophobicContact CB-CD2 4.5Å
23	E	86.3	Confident	83.4	Confident	116 Å²	116	101.7 Å²	101.7	54%	0.542	55%	0.553	S	S	.	*			trans	-77.4	100.2	174.1	-170.4	177.7	151.9	0	0	109.6	A25 Q26 L27	E23-A25 VanDerWaalsContact C-N 3.26Å; E23-A25 PolarHBondContact O-N 3.29Å; E23-Q26 HydrophobicContact CB-CB 4.39Å; E23-Q26 VanDerWaalsContact CD-CD 3.48Å; E23-Q26 HydrophobicContact CG-CB 4.43Å; E23-Q26 HydrophobicContact CG-CG 4.17Å; E23-Q26 PolarHBondContact O-N 3.33Å; E23-Q26 VanDerWaalsContact O-N 3.14Å; E23-Q26 WeakPolarHBondContact OE1-CG 3.49Å; E23-Q26 PolarHBondContact OE1-NE2 3.48Å; E23-Q26 PolarHBondContact OE2-NE2 2.82Å; E23-L27 PolarHBondContact O-N 3.27Å
24	I	84.5	Confident	84.8	Confident	102 Å²	102	97.2 Å²	97.2	52%	0.523	54%	0.538	S	S	.	.	H	α-helix	trans	-56.6	-39.2	-171.8	-62.5	175.2	0	0	0	111.8	A22 Q26 L27 M28 I108	A22-I24 PolarHBondContact O-N 2.85Å; A22-I24 VanDerWaalsContact O-N 3.16Å; I24-Q26 PolarHBondContact O-N 3.15Å; I24-L27 PolarHBondContact O-N 3.01Å; I24-M28 HydrophobicContact CG2-CG 4.2Å; I24-M28 WeakPolarHBondContact O-CB 3.27Å; I24-M28 VanDerWaalsContact O-CG 3.31Å; I24-M28 WeakPolarHBondContact O-CG 3.44Å; I24-M28 PolarHBondContact O-N 3.14Å; I24-I108 HydrophobicContact CG2-CD1 4Å
25	A	81.1	Confident	85.3	Confident	57 Å²	57	95.5 Å²	95.5	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-62.2	-43.9	179.9	0	0	0	0	0	112.3	E23 S29	E23-A25 VanDerWaalsContact C-N 3.26Å; E23-A25 PolarHBondContact O-N 3.29Å; A25-S29 PolarHBondContact O-N 2.86Å
26	Q	85	Confident	85.5	Confident	113 Å²	113	89.8 Å²	89.8	53%	0.528	48%	0.482	S	S	.	.	H	α-helix	trans	-70	-40.8	175.5	-69.5	-176.7	20.4	0	0	111.8	E23 I24 M28 S29 L30	E23-Q26 HydrophobicContact CB-CB 4.39Å; E23-Q26 VanDerWaalsContact CD-CD 3.48Å; E23-Q26 HydrophobicContact CG-CB 4.43Å; E23-Q26 HydrophobicContact CG-CG 4.17Å; E23-Q26 PolarHBondContact O-N 3.33Å; E23-Q26 VanDerWaalsContact O-N 3.14Å; E23-Q26 WeakPolarHBondContact OE1-CG 3.49Å; E23-Q26 PolarHBondContact OE1-NE2 3.48Å; E23-Q26 PolarHBondContact OE2-NE2 2.82Å; I24-Q26 PolarHBondContact O-N 3.15Å; Q26-M28 PolarHBondContact O-N 3.14Å; Q26-S29 WeakPolarHBondContact O-CB 3.11Å; Q26-S29 PolarHBondContact O-N 3.47Å; Q26-L30 WeakPolarHBondContact O-CG 3.47Å; Q26-L30 PolarHBondContact O-N 3.42Å
27	L	86.6	Confident	85.3	Confident	52 Å²	52	88.3 Å²	88.3	27%	0.272	49%	0.487	S	S	.	.	H	α-helix	trans	-62.5	-42.2	178.4	-176.6	58.9	0	0	0	112	A22 E23 I24 S29 L30 I31 I108	A22-L27 HydrophobicContact CB-CD2 4.5Å; E23-L27 PolarHBondContact O-N 3.27Å; I24-L27 PolarHBondContact O-N 3.01Å; L27-S29 VanDerWaalsContact C-N 3.35Å; L27-L30 PolarHBondContact O-N 3.32Å; L27-I31 HydrophobicContact CD1-CD1 4.42Å; L27-I31 HydrophobicContact CG-CD1 4.12Å; L27-I31 WeakPolarHBondContact O-CG1 3.24Å; L27-I31 PolarHBondContact O-N 3.41Å; L27-I108 HydrophobicContact CB-CD1 4.44Å; L27-I108 HydrophobicContact CD2-CB 4.4Å; L27-I108 HydrophobicContact CD2-CD1 3.89Å; L27-I108 HydrophobicContact CD2-CG2 3.86Å; L27-I108 HydrophobicContact CG-CD1 4.08Å; L27-I108 HydrophobicContact CG-CG2 4.38Å
28	M	84.6	Confident	85.3	Confident	13 Å²	13	84.6 Å²	84.6	6%	0.064	46%	0.462	C	S	.	.	H	α-helix	trans	-59.7	-45.5	172.9	-78.4	-61.3	-60.6	0	0	111.5	I24 Q26 L30 I31 I32 I108 Y137 Y140 A164	I24-M28 HydrophobicContact CG2-CG 4.2Å; I24-M28 WeakPolarHBondContact O-CB 3.27Å; I24-M28 VanDerWaalsContact O-CG 3.31Å; I24-M28 WeakPolarHBondContact O-CG 3.44Å; I24-M28 PolarHBondContact O-N 3.14Å; Q26-M28 PolarHBondContact O-N 3.14Å; M28-L30 VanDerWaalsContact C-N 3.31Å; M28-L30 PolarHBondContact O-N 3.29Å; M28-I31 PolarHBondContact O-N 2.67Å; M28-I32 HydrophobicContact CE-CD1 4.14Å; M28-I32 WeakPolarHBondContact O-CD1 3.3Å; M28-I32 VanDerWaalsContact O-CG1 3.26Å; M28-I32 WeakPolarHBondContact O-CG1 3.26Å; M28-I32 PolarHBondContact O-N 3.19Å; M28-I108 HydrophobicContact CG-CD1 3.82Å; M28-I108 HydrophobicContact SD-CD1 3.59Å; M28-I108 VanDerWaalsContact SD-CD1 3.59Å; M28-I108 HydrophobicContact SD-CG1 4.05Å; M28-Y137 HydrophobicContact CE-CD1 3.53Å; M28-Y137 HydrophobicContact CE-CE1 4.17Å; M28-Y137 HydrophobicContact CE-CG 3.91Å; M28-Y137 HydrophobicContact SD-CD1 3.84Å; M28-Y137 HydrophobicContact SD-CD2 4.39Å; M28-Y137 HydrophobicContact SD-CE1 4.08Å; M28-Y137 HydrophobicContact SD-CG 4Å; M28-Y140 HydrophobicContact CE-CD2 4.38Å; M28-A164 HydrophobicContact CE-CB 3.94Å
29	S	85.1	Confident	85.3	Confident	59 Å²	59	81 Å²	81	41%	0.413	45%	0.446	S	S	.	.	H	α-helix	trans	-60.3	-39.3	176	-176.1	0	0	0	0	112.3	A25 Q26 L27 N33	A25-S29 PolarHBondContact O-N 2.86Å; Q26-S29 WeakPolarHBondContact O-CB 3.11Å; Q26-S29 PolarHBondContact O-N 3.47Å; L27-S29 VanDerWaalsContact C-N 3.35Å; S29-N33 VanDerWaalsContact O-CB 3.23Å; S29-N33 WeakPolarHBondContact O-CB 3.48Å; S29-N33 PolarHBondContact O-N 2.78Å; S29-N33 PolarHBondContact O-ND2 3.21Å; S29-N33 PolarHBondContact OG-ND2 2.87Å; S29-N33 VanDerWaalsContact OG-ND2 3.13Å
30	L	86.9	Confident	85.5	Confident	84 Å²	84	77.2 Å²	77.2	44%	0.44	41%	0.414	S	S	.	.	H	α-helix	trans	-65.4	-49	174.9	-71.8	169.4	0	0	0	111.7	Q26 L27 M28 I32 N33 T34 F35	Q26-L30 WeakPolarHBondContact O-CG 3.47Å; Q26-L30 PolarHBondContact O-N 3.42Å; L27-L30 PolarHBondContact O-N 3.32Å; M28-L30 VanDerWaalsContact C-N 3.31Å; M28-L30 PolarHBondContact O-N 3.29Å; L30-I32 PolarHBondContact O-N 2.95Å; L30-N33 PolarHBondContact O-N 3.2Å; L30-T34 HydrophobicContact CD2-CG2 3.95Å; L30-T34 PolarHBondContact O-N 3.01Å; L30-T34 PolarHBondContact O-OG1 2.74Å; L30-F35 PolarHBondContact O-N 3.04Å
31	I	84.6	Confident	85.6	Confident	1 Å²	1	67 Å²	67	1%	0.005	37%	0.369	C	S	.	.	H	α-helix	trans	-57.4	-40.5	179.1	-68.2	165.7	0	0	0	111	L27 M28 F35 I108 V134	L27-I31 HydrophobicContact CD1-CD1 4.42Å; L27-I31 HydrophobicContact CG-CD1 4.12Å; L27-I31 WeakPolarHBondContact O-CG1 3.24Å; L27-I31 PolarHBondContact O-N 3.41Å; M28-I31 PolarHBondContact O-N 2.67Å; I31-F35 HydrophobicContact CB-CD2 4.35Å; I31-F35 HydrophobicContact CG1-CD2 4.02Å; I31-F35 HydrophobicContact CG1-CE2 3.74Å; I31-F35 HydrophobicContact CG1-CZ 4.3Å; I31-F35 HydrophobicContact CG2-CD2 4.42Å; I31-I108 HydrophobicContact CD1-CD1 4.32Å; I31-I108 HydrophobicContact CD1-CG2 3.58Å; I31-V134 HydrophobicContact CD1-CG1 4.25Å
32	I	83.8	Confident	86	Confident	18 Å²	18	57.9 Å²	57.9	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-75.1	-46.9	-179.7	-63.1	164.8	0	0	0	110.9	M28 L30 Y140 L141 A164	M28-I32 HydrophobicContact CE-CD1 4.14Å; M28-I32 WeakPolarHBondContact O-CD1 3.3Å; M28-I32 VanDerWaalsContact O-CG1 3.26Å; M28-I32 WeakPolarHBondContact O-CG1 3.26Å; M28-I32 PolarHBondContact O-N 3.19Å; L30-I32 PolarHBondContact O-N 2.95Å; I32-Y140 HydrophobicContact CD1-CD2 4.5Å; I32-Y140 HydrophobicContact CD1-CG 4.21Å; I32-L141 HydrophobicContact CG2-CD2 4.27Å; I32-L141 WeakPolarHBondContact O-CD2 3.31Å; I32-A164 HydrophobicContact CD1-CB 4.07Å
33	N	81.4	Confident	86.4	Confident	111 Å²	111	54.5 Å²	54.5	59%	0.594	30%	0.298	S	S	*	.	H	α-helix	trans	-96.5	-18.3	-166.6	-62.9	-50.2	0	0	0	115	S29 L30	S29-N33 VanDerWaalsContact O-CB 3.23Å; S29-N33 WeakPolarHBondContact O-CB 3.48Å; S29-N33 PolarHBondContact O-N 2.78Å; S29-N33 PolarHBondContact O-ND2 3.21Å; S29-N33 PolarHBondContact OG-ND2 2.87Å; S29-N33 VanDerWaalsContact OG-ND2 3.13Å; L30-N33 PolarHBondContact O-N 3.2Å
34	T	84.6	Confident	86.8	Confident	89 Å²	89	49 Å²	49	55%	0.546	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-26.4	-172	68.1	0	0	0	0	114.7	L30	L30-T34 HydrophobicContact CD2-CG2 3.95Å; L30-T34 PolarHBondContact O-N 3.01Å; L30-T34 PolarHBondContact O-OG1 2.74Å
35	F	82.6	Confident	87.1	Confident	60 Å²	60	44.3 Å²	44.3	26%	0.263	25%	0.248	S	C	.	.	S	Bend	trans	-77.8	-28.6	-173.8	-76.5	13.3	0	0	0	113.6	L30 I31 I391 S392	L30-F35 PolarHBondContact O-N 3.04Å; I31-F35 HydrophobicContact CB-CD2 4.35Å; I31-F35 HydrophobicContact CG1-CD2 4.02Å; I31-F35 HydrophobicContact CG1-CE2 3.74Å; I31-F35 HydrophobicContact CG1-CZ 4.3Å; I31-F35 HydrophobicContact CG2-CD2 4.42Å; F35-I391 HydrophobicContact CD2-CD1 3.88Å; F35-I391 HydrophobicContact CD2-CG1 3.93Å; F35-I391 HydrophobicContact CD2-CG2 4.22Å; F35-I391 HydrophobicContact CE2-CD1 3.36Å; F35-I391 HydrophobicContact CE2-CG1 3.96Å; F35-I391 HydrophobicContact CG-CG2 4.36Å; F35-I391 HydrophobicContact CZ-CD1 4.04Å; F35-S392 WeakPolarHBondContact O-CB 3.35Å
36	Y	84	Confident	87.8	Confident	16 Å²	16	41.9 Å²	41.9	6%	0.063	23%	0.227	C	C	.	.			trans	-115.1	129.3	-175.7	-58.9	-76.1	0	0	0	110.5	I41 L141	Y36-I41 HydrophobicContact CD1-CD1 3.25Å; Y36-I41 HydrophobicContact CD1-CG1 3.61Å; Y36-I41 HydrophobicContact CD2-CD1 3.97Å; Y36-I41 HydrophobicContact CE1-CD1 3.49Å; Y36-I41 VanDerWaalsContact CE1-CD1 3.49Å; Y36-I41 HydrophobicContact CE1-CG1 4.26Å; Y36-I41 HydrophobicContact CE2-CD1 4.18Å; Y36-I41 HydrophobicContact CG-CD1 3.49Å; Y36-I41 VanDerWaalsContact CG-CD1 3.49Å; Y36-I41 HydrophobicContact CG-CG1 3.9Å; Y36-L141 HydrophobicContact CD2-CD1 4Å; Y36-L141 HydrophobicContact CG-CD1 4.12Å
37	S	82.3	Confident	88.3	Confident	106 Å²	106	36.5 Å²	36.5	74%	0.741	20%	0.202	S	C	*	.	S	Bend	trans	-82.5	-37.5	177.3	68.2	0	0	0	0	111.6	E394	S37-E394 PolarHBondContact OG-OE2 3.33Å
38	N	87.5	Confident	88.5	Confident	55 Å²	55	34.1 Å²	34.1	29%	0.294	19%	0.19	S	C	.	.			trans	-111.9	128.7	-177.3	-171.8	-18.3	0	0	0	110.4	E40 I41	N38-E40 VanDerWaalsContact C-N 3.3Å; N38-E40 PolarHBondContact ND2-OE1 2.86Å; N38-E40 VanDerWaalsContact ND2-OE1 3.13Å; N38-E40 PolarHBondContact O-N 2.86Å; N38-E40 WeakPolarHBondContact OD1-CG 3.29Å; N38-E40 PolarHBondContact OD1-N 3.05Å; N38-I41 HydrophobicContact CB-CG2 4.46Å; N38-I41 WeakPolarHBondContact O-CG1 3.23Å
39	K	92	Very high	88.9	Confident	80 Å²	80	36 Å²	36	35%	0.348	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-29.6	-179.8	-63.2	-172.6	-174	-177.4	0	112.9	I41 F42 V142 D191	K39-I41 PolarHBondContact O-N 2.82Å; K39-F42 VanDerWaalsContact O-CD1 3.28Å; K39-F42 WeakPolarHBondContact O-CD1 3.45Å; K39-F42 PolarHBondContact O-N 3.36Å; K39-V142 HydrophobicContact CB-CG1 4.12Å; K39-D191 IonicContact NZ-OD2 2.78Å
40	E	92.6	Very high	89.4	Confident	11 Å²	11	33.5 Å²	33.5	5%	0.051	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-16.3	-173.8	83.3	-168.9	-176.9	0	0	114.3	N38 F42 L43 F195 R200 V204 K207 H208	N38-E40 VanDerWaalsContact C-N 3.3Å; N38-E40 PolarHBondContact ND2-OE1 2.86Å; N38-E40 VanDerWaalsContact ND2-OE1 3.13Å; N38-E40 PolarHBondContact O-N 2.86Å; N38-E40 WeakPolarHBondContact OD1-CG 3.29Å; N38-E40 PolarHBondContact OD1-N 3.05Å; E40-F42 PolarHBondContact O-N 2.7Å; E40-F42 VanDerWaalsContact O-N 3.15Å; E40-L43 PolarHBondContact O-N 2.72Å; E40-F195 HydrophobicContact CB-CE1 3.91Å; E40-F195 HydrophobicContact CB-CZ 3.99Å; E40-R200 IonicContact OE2-CZ 2.66Å; E40-R200 IonicContact OE2-NH1 3.23Å; E40-R200 PolarHBondContact OE2-NH1 3.38Å; E40-R200 IonicContact OE2-NH2 2.92Å; E40-R200 PolarHBondContact OE2-NH2 2.92Å; E40-V204 HydrophobicContact CB-CG1 4.3Å; E40-V204 HydrophobicContact CB-CG2 3.93Å; E40-V204 HydrophobicContact CG-CG1 4.5Å; E40-V204 HydrophobicContact CG-CG2 4.45Å; E40-K207 IonicContact OE1-NZ 3.96Å; E40-K207 PolarHBondContact OE1-NZ 2.98Å; E40-H208 IonicContact OE1-CD2 3.69Å; E40-H208 IonicContact OE1-CE1 3.5Å; E40-H208 IonicContact OE1-NE2 3.03Å; E40-H208 PolarHBondContact OE1-NE2 3.01Å
41	I	91	Very high	89.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.8	-19.8	177.7	63.5	87.2	0	0	0	113.4	Y36 N38 K39 L43 R44 E45 L141 E394	Y36-I41 HydrophobicContact CD1-CD1 3.25Å; Y36-I41 HydrophobicContact CD1-CG1 3.61Å; Y36-I41 HydrophobicContact CD2-CD1 3.97Å; Y36-I41 HydrophobicContact CE1-CD1 3.49Å; Y36-I41 VanDerWaalsContact CE1-CD1 3.49Å; Y36-I41 HydrophobicContact CE1-CG1 4.26Å; Y36-I41 HydrophobicContact CE2-CD1 4.18Å; Y36-I41 HydrophobicContact CG-CD1 3.49Å; Y36-I41 VanDerWaalsContact CG-CD1 3.49Å; Y36-I41 HydrophobicContact CG-CG1 3.9Å; N38-I41 HydrophobicContact CB-CG2 4.46Å; N38-I41 WeakPolarHBondContact O-CG1 3.23Å; K39-I41 PolarHBondContact O-N 2.82Å; I41-L43 PolarHBondContact O-N 3.17Å; I41-R44 WeakPolarHBondContact O-CA 3.28Å; I41-R44 WeakPolarHBondContact O-CB 3.47Å; I41-R44 PolarHBondContact O-N 3.04Å; I41-E45 HydrophobicContact CD1-CG 4.17Å; I41-E45 PolarHBondContact O-N 3.19Å; I41-L141 HydrophobicContact CD1-CD1 3.66Å; I41-L141 HydrophobicContact CG1-CD1 4.03Å; I41-E394 VanDerWaalsContact CG2-OE1 3.25Å; I41-E394 WeakPolarHBondContact CG2-OE1 3.39Å
42	F	94.4	Very high	90.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-56.9	-40	-178.7	82	-88	0	0	0	110.4	K39 E40 E45 L46 L87 V142 L186 F195	K39-F42 VanDerWaalsContact O-CD1 3.28Å; K39-F42 WeakPolarHBondContact O-CD1 3.45Å; K39-F42 PolarHBondContact O-N 3.36Å; E40-F42 PolarHBondContact O-N 2.7Å; E40-F42 VanDerWaalsContact O-N 3.15Å; F42-E45 PolarHBondContact O-N 3.06Å; F42-L46 HydrophobicContact CD2-CD1 4.04Å; F42-L46 WeakPolarHBondContact O-CB 3.45Å; F42-L46 VanDerWaalsContact O-CG 3.27Å; F42-L46 WeakPolarHBondContact O-CG 3.29Å; F42-L46 PolarHBondContact O-N 3.32Å; F42-L87 HydrophobicContact CE2-CD2 3.87Å; F42-L87 HydrophobicContact CZ-CD2 3.92Å; F42-V142 HydrophobicContact CB-CG2 4.27Å; F42-V142 HydrophobicContact CD1-CB 4.25Å; F42-V142 HydrophobicContact CD1-CG1 3.63Å; F42-V142 HydrophobicContact CD1-CG2 3.61Å; F42-V142 HydrophobicContact CD2-CG2 3.71Å; F42-V142 HydrophobicContact CE1-CB 4.37Å; F42-V142 HydrophobicContact CE1-CG1 3.89Å; F42-V142 HydrophobicContact CE1-CG2 3.81Å; F42-V142 HydrophobicContact CE2-CG2 3.92Å; F42-V142 HydrophobicContact CG-CG1 4.32Å; F42-V142 HydrophobicContact CG-CG2 3.56Å; F42-V142 HydrophobicContact CZ-CG2 3.98Å; F42-L186 HydrophobicContact CD2-CD1 3.7Å; F42-L186 HydrophobicContact CE2-CD1 3.51Å; F42-F195 HydrophobicContact CE1-CB 4.44Å; F42-F195 AromaticContact CE1-CD1 3.58Å; F42-F195 HydrophobicContact CE1-CD1 3.58Å; F42-F195 HydrophobicContact CE1-CD2 4.08Å; F42-F195 AromaticContact CE1-CE1 3.7Å; F42-F195 HydrophobicContact CE1-CE1 3.7Å; F42-F195 HydrophobicContact CE1-CE2 4.18Å; F42-F195 AromaticContact CE1-CG 3.78Å; F42-F195 HydrophobicContact CE1-CG 3.78Å; F42-F195 AromaticContact CE1-CZ 3.99Å; F42-F195 HydrophobicContact CE1-CZ 3.99Å; F42-F195 HydrophobicContact CZ-CB 4.25Å; F42-F195 AromaticContact CZ-CD1 4Å; F42-F195 HydrophobicContact CZ-CD1 4Å; F42-F195 HydrophobicContact CZ-CG 4.06Å
43	L	94.8	Very high	90.5	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-71.5	-36.5	-179.1	-169.5	60	0	0	0	111.1	E40 I41 I47 I78 I89 I201 V204 I205	E40-L43 PolarHBondContact O-N 2.72Å; I41-L43 PolarHBondContact O-N 3.17Å; L43-I47 HydrophobicContact CD1-CD1 4.09Å; L43-I47 HydrophobicContact CD1-CG1 4.31Å; L43-I47 HydrophobicContact CG-CD1 3.8Å; L43-I47 HydrophobicContact CG-CG1 4.43Å; L43-I47 WeakPolarHBondContact O-CB 3.47Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 3.4Å; L43-I78 HydrophobicContact CD1-CD1 4.15Å; L43-I89 HydrophobicContact CD1-CG1 4.29Å; L43-I201 HydrophobicContact CD2-CG2 4.32Å; L43-V204 HydrophobicContact CB-CG1 3.94Å; L43-V204 HydrophobicContact CD2-CB 4.18Å; L43-V204 HydrophobicContact CD2-CG1 3.86Å; L43-V204 HydrophobicContact CG-CG1 4.37Å; L43-I205 HydrophobicContact CD2-CD1 4.23Å; L43-I205 HydrophobicContact CD2-CG1 3.84Å
44	R	92.7	Very high	91.1	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.008	14%	0.136	C	C	.	.	H	α-helix	trans	-59.4	-49.5	172.2	179.1	-167.7	74.1	-163.6	-0.7	110.9	I41 S48 H208 V361 S392	I41-R44 WeakPolarHBondContact O-CA 3.28Å; I41-R44 WeakPolarHBondContact O-CB 3.47Å; I41-R44 PolarHBondContact O-N 3.04Å; R44-S48 VanDerWaalsContact O-CB 3.29Å; R44-S48 WeakPolarHBondContact O-CB 3.03Å; R44-S48 PolarHBondContact O-N 3.43Å; R44-S48 PolarHBondContact O-OG 3.04Å; R44-H208 HydrophobicContact CB-CB 3.84Å; R44-H208 HydrophobicContact CG-CB 3.91Å; R44-V361 HydrophobicContact CG-CG1 4.13Å; R44-S392 PolarHBondContact NH2-O 3.12Å
45	E	92.7	Very high	91.4	Very high	3 Å²	3	21 Å²	21	1%	0.014	12%	0.115	C	C	.	.	H	α-helix	trans	-64.8	-43.3	-178.5	-65.7	-55.9	126.4	0	0	111.5	I41 F42 S48 N49 G135 R393	I41-E45 HydrophobicContact CD1-CG 4.17Å; I41-E45 PolarHBondContact O-N 3.19Å; F42-E45 PolarHBondContact O-N 3.06Å; E45-S48 PolarHBondContact O-N 3.01Å; E45-N49 PolarHBondContact O-N 3.33Å; E45-N49 PolarHBondContact O-ND2 3.15Å; E45-G135 WeakPolarHBondContact CB-O 3.49Å; E45-G135 WeakPolarHBondContact OE2-CA 3.47Å; E45-R393 IonicContact OE2-NE 3.92Å
46	L	95.3	Very high	91.8	Very high	5 Å²	5	19.5 Å²	19.5	3%	0.026	11%	0.109	C	C	.	.	H	α-helix	trans	-64.5	-46.7	178	-69.1	176.6	0	0	0	112	F42 S48 N49 S50 I89 F136 V184 L186	F42-L46 HydrophobicContact CD2-CD1 4.04Å; F42-L46 WeakPolarHBondContact O-CB 3.45Å; F42-L46 VanDerWaalsContact O-CG 3.27Å; F42-L46 WeakPolarHBondContact O-CG 3.29Å; F42-L46 PolarHBondContact O-N 3.32Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 3.37Å; L46-N49 PolarHBondContact O-N 3.07Å; L46-S50 PolarHBondContact O-N 2.63Å; L46-S50 PolarHBondContact O-OG 2.97Å; L46-I89 HydrophobicContact CD1-CD1 3.84Å; L46-I89 HydrophobicContact CD1-CG1 4.42Å; L46-F136 HydrophobicContact CD2-CD2 4.22Å; L46-V184 HydrophobicContact CD2-CG1 4.31Å; L46-L186 HydrophobicContact CD1-CD1 3.83Å; L46-L186 HydrophobicContact CD1-CD2 4.24Å; L46-L186 HydrophobicContact CD1-CG 4.43Å
47	I	94.7	Very high	92.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.6	-39	176.2	-68.7	169.9	0	0	0	110.9	L43 S50 S51 I76 I78 I205 I212 I216	L43-I47 HydrophobicContact CD1-CD1 4.09Å; L43-I47 HydrophobicContact CD1-CG1 4.31Å; L43-I47 HydrophobicContact CG-CD1 3.8Å; L43-I47 HydrophobicContact CG-CG1 4.43Å; L43-I47 WeakPolarHBondContact O-CB 3.47Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 3.4Å; I47-S50 PolarHBondContact O-N 3.18Å; I47-S51 PolarHBondContact O-N 3.38Å; I47-I76 HydrophobicContact CG2-CD1 3.93Å; I47-I78 HydrophobicContact CD1-CD1 4.08Å; I47-I205 HydrophobicContact CD1-CG1 3.98Å; I47-I212 HydrophobicContact CG2-CG1 4.07Å; I47-I216 HydrophobicContact CD1-CD1 4.43Å; I47-I216 HydrophobicContact CG2-CD1 3.83Å
48	S	91.8	Very high	92.6	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.021	10%	0.096	C	C	.	.	H	α-helix	trans	-63.3	-44.2	177.2	-58.9	0	0	0	0	111.4	R44 E45 L46 S50 S51 D52	R44-S48 VanDerWaalsContact O-CB 3.29Å; R44-S48 WeakPolarHBondContact O-CB 3.03Å; R44-S48 PolarHBondContact O-N 3.43Å; R44-S48 PolarHBondContact O-OG 3.04Å; E45-S48 PolarHBondContact O-N 3.01Å; L46-S48 VanDerWaalsContact C-N 3.3Å; L46-S48 PolarHBondContact O-N 3.37Å; S48-S50 PolarHBondContact O-N 2.87Å; S48-S51 WeakPolarHBondContact O-CB 3Å; S48-S51 PolarHBondContact O-N 2.92Å; S48-D52 PolarHBondContact O-N 2.86Å
49	N	93.4	Very high	92.7	Very high	53 Å²	53	20.7 Å²	20.7	28%	0.283	9%	0.093	S	C	.	.	H	α-helix	trans	-63.4	-41	175.7	-67.3	-26.9	0	0	0	111.9	E45 L46 S51 D52 A53	E45-N49 PolarHBondContact O-N 3.33Å; E45-N49 PolarHBondContact O-ND2 3.15Å; L46-N49 PolarHBondContact O-N 3.07Å; N49-S51 VanDerWaalsContact C-N 3.35Å; N49-D52 PolarHBondContact O-N 2.96Å; N49-A53 PolarHBondContact O-N 3.1Å
50	S	95.1	Very high	92.5	Very high	5 Å²	5	19.2 Å²	19.2	4%	0.035	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-39.8	174.4	-67.5	0	0	0	0	111.8	L46 I47 S48 A53 L54 D91	L46-S50 PolarHBondContact O-N 2.63Å; L46-S50 PolarHBondContact O-OG 2.97Å; I47-S50 PolarHBondContact O-N 3.18Å; S48-S50 PolarHBondContact O-N 2.87Å; S50-A53 PolarHBondContact O-N 2.7Å; S50-L54 VanDerWaalsContact O-CG 3.29Å; S50-L54 WeakPolarHBondContact O-CG 3.38Å; S50-L54 PolarHBondContact O-N 3.26Å; S50-D91 PolarHBondContact OG-OD2 2.97Å
51	S	93	Very high	92.4	Very high	4 Å²	4	19.5 Å²	19.5	3%	0.028	9%	0.091	C	C	.	.	H	α-helix	trans	-62.4	-46	173.9	-170.7	0	0	0	0	111.8	I47 S48 N49 A53 L54 D55	I47-S51 PolarHBondContact O-N 3.38Å; S48-S51 WeakPolarHBondContact O-CB 3Å; S48-S51 PolarHBondContact O-N 2.92Å; N49-S51 VanDerWaalsContact C-N 3.35Å; S51-A53 VanDerWaalsContact C-N 3.26Å; S51-A53 PolarHBondContact O-N 3.49Å; S51-L54 WeakPolarHBondContact O-CB 3.24Å; S51-L54 PolarHBondContact O-N 3.46Å; S51-L54 VanDerWaalsContact O-N 3.1Å; S51-D55 PolarHBondContact O-N 3.1Å
52	D	91.8	Very high	92.2	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	12%	0.123	C	C	.	.	H	α-helix	trans	-58.4	-39.7	176.2	-74.8	-14.6	0	0	0	111.2	S48 N49 L54 D55 K56 T113 M128 I129 G130	S48-D52 PolarHBondContact O-N 2.86Å; N49-D52 PolarHBondContact O-N 2.96Å; D52-L54 VanDerWaalsContact C-N 3.35Å; D52-D55 PolarHBondContact O-N 3.35Å; D52-K56 WeakPolarHBondContact O-CG 3.42Å; D52-K56 PolarHBondContact O-N 3.05Å; D52-T113 HydrophobicContact CB-CG2 4.35Å; D52-T113 WeakPolarHBondContact OD2-CG2 3.29Å; D52-T113 PolarHBondContact OD2-OG1 3.06Å; D52-M128 HydrophobicContact CB-CG 4.32Å; D52-M128 WeakPolarHBondContact OD1-CA 3.17Å; D52-I129 PolarHBondContact OD1-N 3.31Å; D52-G130 VanDerWaalsContact OD2-CA 3.24Å; D52-G130 WeakPolarHBondContact OD2-CA 3.37Å; D52-G130 PolarHBondContact OD2-N 3.19Å
53	A	93.9	Very high	91.9	Very high	15 Å²	15	30.8 Å²	30.8	12%	0.124	16%	0.155	C	C	.	.	H	α-helix	trans	-67.3	-34.2	177	0	0	0	0	0	112.9	N49 S50 S51 I57 G93 C94	N49-A53 PolarHBondContact O-N 3.1Å; S50-A53 PolarHBondContact O-N 2.7Å; S51-A53 VanDerWaalsContact C-N 3.26Å; S51-A53 PolarHBondContact O-N 3.49Å; A53-I57 PolarHBondContact O-N 2.94Å; A53-G93 WeakPolarHBondContact O-CA 3.29Å; A53-C94 PolarHBondContact O-N 2.89Å; A53-C94 VanDerWaalsContact O-N 3.12Å
54	L	93.8	Very high	91.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-70.5	-38.4	173.8	-67.9	167.8	0	0	0	111.6	S50 S51 D52 I57 R58 L74 I76 T92 Y214	S50-L54 VanDerWaalsContact O-CG 3.29Å; S50-L54 WeakPolarHBondContact O-CG 3.38Å; S50-L54 PolarHBondContact O-N 3.26Å; S51-L54 WeakPolarHBondContact O-CB 3.24Å; S51-L54 PolarHBondContact O-N 3.46Å; S51-L54 VanDerWaalsContact O-N 3.1Å; D52-L54 VanDerWaalsContact C-N 3.35Å; L54-I57 VanDerWaalsContact O-CG2 3.22Å; L54-I57 WeakPolarHBondContact O-CG2 3.4Å; L54-R58 WeakPolarHBondContact O-CB 3.3Å; L54-R58 PolarHBondContact O-N 3.18Å; L54-L74 HydrophobicContact CD2-CB 3.99Å; L54-L74 HydrophobicContact CD2-CD2 3.87Å; L54-L74 HydrophobicContact CD2-CG 4.46Å; L54-I76 HydrophobicContact CD1-CD1 4.13Å; L54-I76 HydrophobicContact CD1-CG1 3.61Å; L54-T92 VanDerWaalsContact CD2-C 3.48Å; L54-T92 WeakPolarHBondContact CD2-OG1 3.32Å; L54-Y214 HydrophobicContact CB-CD1 4.13Å; L54-Y214 HydrophobicContact CB-CD2 3.73Å; L54-Y214 HydrophobicContact CB-CE1 3.95Å; L54-Y214 HydrophobicContact CB-CE2 3.54Å; L54-Y214 HydrophobicContact CB-CG 4.04Å; L54-Y214 HydrophobicContact CD1-CD1 4.08Å; L54-Y214 HydrophobicContact CD1-CD2 3.75Å; L54-Y214 HydrophobicContact CD1-CE2 4.45Å; L54-Y214 HydrophobicContact CD1-CG 3.55Å; L54-Y214 HydrophobicContact CG-CD2 4.4Å; L54-Y214 HydrophobicContact CG-CG 4.4Å
55	D	90.9	Very high	91.5	Very high	20 Å²	20	38 Å²	38	11%	0.107	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-38.7	174.5	-75	-37.8	0	0	0	112.3	S51 D52 R58 Y59 I126 Y214	S51-D55 PolarHBondContact O-N 3.1Å; D52-D55 PolarHBondContact O-N 3.35Å; D55-R58 PolarHBondContact O-N 3.37Å; D55-Y59 PolarHBondContact O-N 3Å; D55-I126 HydrophobicContact CB-CG2 4.19Å; D55-Y214 VanDerWaalsContact OD1-CE2 3.27Å; D55-Y214 WeakPolarHBondContact OD1-CE2 3.46Å; D55-Y214 VanDerWaalsContact OD1-CZ 3.31Å; D55-Y214 PolarHBondContact OD1-OH 3.11Å
56	K	90.9	Very high	91.4	Very high	29 Å²	29	40.5 Å²	40.5	13%	0.126	22%	0.216	C	C	.	.	H	α-helix	trans	-59.8	-53.8	174.7	-73.5	176.6	-170.6	178	0	112.4	D52 R58 Y59 E60 C94 G112 T113 F116 M128	D52-K56 WeakPolarHBondContact O-CG 3.42Å; D52-K56 PolarHBondContact O-N 3.05Å; K56-R58 VanDerWaalsContact C-N 3.29Å; K56-R58 PolarHBondContact O-N 2.81Å; K56-Y59 PolarHBondContact O-N 2.94Å; K56-E60 WeakPolarHBondContact O-CG 3.49Å; K56-E60 PolarHBondContact O-N 2.8Å; K56-C94 HydrophobicContact CB-CB 4.36Å; K56-G112 PolarHBondContact NZ-O 3.36Å; K56-T113 PolarHBondContact NZ-OG1 3.16Å; K56-F116 HydrophobicContact CB-CE1 4.3Å; K56-F116 HydrophobicContact CB-CE2 4.28Å; K56-F116 HydrophobicContact CB-CZ 4.02Å; K56-F116 HydrophobicContact CD-CD2 4.29Å; K56-F116 HydrophobicContact CD-CG 4.22Å; K56-F116 HydrophobicContact CG-CD1 3.82Å; K56-F116 HydrophobicContact CG-CD2 4.1Å; K56-F116 HydrophobicContact CG-CE1 3.73Å; K56-F116 HydrophobicContact CG-CE2 4.06Å; K56-F116 HydrophobicContact CG-CG 3.97Å; K56-F116 HydrophobicContact CG-CZ 3.86Å; K56-M128 HydrophobicContact CG-SD 4.15Å
57	I	91.9	Very high	91	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-65.7	-35.6	-179.6	-169.7	64.7	0	0	0	111.5	A53 L54 Y59 E60 S61 K67 L68 L74 C94	A53-I57 PolarHBondContact O-N 2.94Å; L54-I57 VanDerWaalsContact O-CG2 3.22Å; L54-I57 WeakPolarHBondContact O-CG2 3.4Å; I57-Y59 VanDerWaalsContact C-N 3.33Å; I57-Y59 PolarHBondContact O-N 3.43Å; I57-E60 PolarHBondContact O-N 3.28Å; I57-S61 VanDerWaalsContact O-CB 3.3Å; I57-S61 WeakPolarHBondContact O-CB 3.33Å; I57-S61 PolarHBondContact O-N 3.03Å; I57-S61 PolarHBondContact O-OG 2.93Å; I57-K67 HydrophobicContact CD1-CB 3.97Å; I57-L68 HydrophobicContact CG1-CD2 3.82Å; I57-L74 HydrophobicContact CG2-CD2 3.81Å; I57-C94 HydrophobicContact CB-CB 4.1Å
58	R	90.8	Very high	90.8	Very high	141 Å²	141	43.7 Å²	43.7	53%	0.532	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-45.3	174.6	-178.6	179.4	174.8	-166	-4.4	110.6	L54 D55 K56 S61 L62 L74 Y214	L54-R58 WeakPolarHBondContact O-CB 3.3Å; L54-R58 PolarHBondContact O-N 3.18Å; D55-R58 PolarHBondContact O-N 3.37Å; K56-R58 VanDerWaalsContact C-N 3.29Å; K56-R58 PolarHBondContact O-N 2.81Å; R58-S61 PolarHBondContact O-N 3.45Å; R58-S61 PolarHBondContact O-OG 3.34Å; R58-L62 PolarHBondContact O-N 2.89Å; R58-L74 HydrophobicContact CB-CD1 4.16Å; R58-Y214 VanDerWaalsContact CD-OH 3.24Å; R58-Y214 WeakPolarHBondContact CD-OH 3.29Å
59	Y	88.9	Confident	90.3	Very high	60 Å²	60	49.9 Å²	49.9	24%	0.235	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-48.2	176.8	179.4	-104.9	0	0	0	113	D55 K56 I57 S61 L62 F116 L120 A124 I126	D55-Y59 PolarHBondContact O-N 3Å; K56-Y59 PolarHBondContact O-N 2.94Å; I57-Y59 VanDerWaalsContact C-N 3.33Å; I57-Y59 PolarHBondContact O-N 3.43Å; Y59-S61 PolarHBondContact O-N 2.94Å; Y59-L62 HydrophobicContact CD2-CD1 4.26Å; Y59-L62 VanDerWaalsContact O-CB 3.28Å; Y59-L62 WeakPolarHBondContact O-CB 3.4Å; Y59-L62 PolarHBondContact O-N 3.28Å; Y59-F116 HydrophobicContact CD1-CE1 4.32Å; Y59-F116 AromaticContact CD1-CZ 3.77Å; Y59-F116 HydrophobicContact CD1-CZ 3.77Å; Y59-F116 HydrophobicContact CG-CZ 4.41Å; Y59-L120 HydrophobicContact CD1-CD2 3.62Å; Y59-L120 HydrophobicContact CD2-CD2 4.28Å; Y59-L120 HydrophobicContact CE1-CD2 3.14Å; Y59-L120 HydrophobicContact CE2-CD2 3.85Å; Y59-L120 HydrophobicContact CG-CD2 4.13Å; Y59-A124 HydrophobicContact CD2-CB 4.21Å; Y59-A124 HydrophobicContact CE2-CB 3.54Å; Y59-I126 HydrophobicContact CD1-CD1 4.24Å; Y59-I126 HydrophobicContact CD2-CD1 3.32Å; Y59-I126 HydrophobicContact CD2-CG1 4.34Å; Y59-I126 HydrophobicContact CE2-CD1 4.06Å; Y59-I126 HydrophobicContact CG-CD1 3.36Å
60	E	88.4	Confident	89.5	Confident	50 Å²	50	54 Å²	54	23%	0.234	28%	0.282	C	S	.	.	H	α-helix	trans	-56.1	-38.3	177.4	-72.4	176.6	-179.6	0	0	111	K56 I57 L62 T63 D64 F116	K56-E60 WeakPolarHBondContact O-CG 3.49Å; K56-E60 PolarHBondContact O-N 2.8Å; I57-E60 PolarHBondContact O-N 3.28Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 3.15Å; E60-T63 PolarHBondContact O-N 3.39Å; E60-T63 PolarHBondContact O-OG1 3.37Å; E60-D64 PolarHBondContact O-N 3.3Å; E60-F116 HydrophobicContact CG-CE2 4.5Å
61	S	90	Very high	89	Confident	17 Å²	17	54.7 Å²	54.7	12%	0.119	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-21.7	176.9	81.1	0	0	0	0	115	I57 R58 Y59 T63 D64 P65 L68	I57-S61 VanDerWaalsContact O-CB 3.3Å; I57-S61 WeakPolarHBondContact O-CB 3.33Å; I57-S61 PolarHBondContact O-N 3.03Å; I57-S61 PolarHBondContact O-OG 2.93Å; R58-S61 PolarHBondContact O-N 3.45Å; R58-S61 PolarHBondContact O-OG 3.34Å; Y59-S61 PolarHBondContact O-N 2.94Å; S61-T63 VanDerWaalsContact C-N 3.29Å; S61-D64 WeakPolarHBondContact CA-O 3.44Å; S61-D64 CarbonylContact O-C 3.6Å; S61-P65 WeakPolarHBondContact O-CA 3.31Å; S61-L68 VanDerWaalsContact CB-CG 3.48Å; S61-L68 WeakPolarHBondContact OG-CD1 3.45Å
62	L	88	Confident	88.9	Confident	130 Å²	130	64 Å²	64	68%	0.681	32%	0.322	S	S	*	.	H	α-helix	trans	-70	-32.8	173.1	-62	175.4	0	0	0	110.9	R58 Y59 E60	R58-L62 PolarHBondContact O-N 2.89Å; Y59-L62 HydrophobicContact CD2-CD1 4.26Å; Y59-L62 VanDerWaalsContact O-CB 3.28Å; Y59-L62 WeakPolarHBondContact O-CB 3.4Å; Y59-L62 PolarHBondContact O-N 3.28Å; E60-L62 VanDerWaalsContact C-N 3.25Å; E60-L62 PolarHBondContact O-N 3.15Å
63	T	86.8	Confident	88.9	Confident	107 Å²	107	69.1 Å²	69.1	66%	0.656	35%	0.346	S	S	*	.	H	α-helix	trans	-90.3	-33.4	177.6	53.9	0	0	0	0	113.1	E60 S61	E60-T63 PolarHBondContact O-N 3.39Å; E60-T63 PolarHBondContact O-OG1 3.37Å; S61-T63 VanDerWaalsContact C-N 3.29Å
64	D	89	Confident	89	Confident	62 Å²	62	70 Å²	70	33%	0.332	35%	0.348	S	S	.	.			trans	-140.2	89.4	-178.6	-178.5	6.8	0	0	0	110.5	E60 S61 S66 K67	E60-D64 PolarHBondContact O-N 3.3Å; S61-D64 WeakPolarHBondContact CA-O 3.44Å; S61-D64 CarbonylContact O-C 3.6Å; D64-S66 VanDerWaalsContact CG-OG 3.22Å; D64-S66 PolarHBondContact O-N 3.12Å; D64-S66 VanDerWaalsContact OD1-CB 3.32Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 2.92Å; D64-S66 VanDerWaalsContact OD1-N 3.17Å; D64-S66 PolarHBondContact OD1-OG 2.92Å; D64-S66 PolarHBondContact OD2-OG 2.85Å; D64-K67 HydrophobicContact CB-CG 4.13Å; D64-K67 WeakPolarHBondContact O-CB 3.45Å; D64-K67 WeakPolarHBondContact O-CG 3.47Å; D64-K67 PolarHBondContact O-N 3.15Å
65	P	90.4	Very high	89	Confident	92 Å²	92	71.4 Å²	71.4	60%	0.597	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-58.3	-20.1	180	-27.4	35.9	0	0	0	114.8	S61 K67 L68	S61-P65 WeakPolarHBondContact O-CA 3.31Å; P65-K67 PolarHBondContact O-N 3.5Å; P65-L68 PolarHBondContact O-N 3.41Å
66	S	90	Very high	89.3	Confident	56 Å²	56	70.5 Å²	70.5	39%	0.392	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-63	-26	179.8	74.5	0	0	0	0	112.4	D64 L68 E69	D64-S66 VanDerWaalsContact CG-OG 3.22Å; D64-S66 PolarHBondContact O-N 3.12Å; D64-S66 VanDerWaalsContact OD1-CB 3.32Å; D64-S66 WeakPolarHBondContact OD1-CB 3.46Å; D64-S66 PolarHBondContact OD1-N 2.92Å; D64-S66 VanDerWaalsContact OD1-N 3.17Å; D64-S66 PolarHBondContact OD1-OG 2.92Å; D64-S66 PolarHBondContact OD2-OG 2.85Å; S66-L68 PolarHBondContact O-N 3.37Å; S66-E69 PolarHBondContact O-N 3.45Å; S66-E69 VanDerWaalsContact O-N 3.08Å
67	K	88.4	Confident	89.6	Confident	40 Å²	40	71.5 Å²	71.5	17%	0.174	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-60.9	-17.6	176.6	-64.1	-72.8	-177.9	170.4	0	113.9	I57 D64 P65 C153 D154 R180	I57-K67 HydrophobicContact CD1-CB 3.97Å; D64-K67 HydrophobicContact CB-CG 4.13Å; D64-K67 WeakPolarHBondContact O-CB 3.45Å; D64-K67 WeakPolarHBondContact O-CG 3.47Å; D64-K67 PolarHBondContact O-N 3.15Å; P65-K67 PolarHBondContact O-N 3.5Å; K67-C153 HydrophobicContact CD-CB 4.31Å; K67-D154 VanDerWaalsContact NZ-CG 3.32Å; K67-D154 IonicContact NZ-OD1 2.68Å; K67-D154 PolarHBondContact NZ-OD1 3.35Å; K67-D154 IonicContact NZ-OD2 2.93Å; K67-D154 PolarHBondContact NZ-OD2 2.86Å; K67-R180 PolarHBondContact O-NH1 3.17Å
68	L	89.4	Confident	89.9	Confident	32 Å²	32	71.4 Å²	71.4	17%	0.168	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-104.4	-2.3	177.3	-68.6	-177.2	0	0	0	114.7	I57 S61 P65 S66 D70 A71 R72 L74	I57-L68 HydrophobicContact CG1-CD2 3.82Å; S61-L68 VanDerWaalsContact CB-CG 3.48Å; S61-L68 WeakPolarHBondContact OG-CD1 3.45Å; P65-L68 PolarHBondContact O-N 3.41Å; S66-L68 PolarHBondContact O-N 3.37Å; L68-D70 PolarHBondContact O-N 3.29Å; L68-A71 CarbonylContact O-C 3.57Å; L68-A71 VanDerWaalsContact O-C 3.26Å; L68-A71 PolarHBondContact O-N 3.29Å; L68-R72 VanDerWaalsContact O-CG 3.23Å; L68-R72 WeakPolarHBondContact O-CG 3.26Å; L68-R72 PolarHBondContact O-N 2.96Å; L68-L74 HydrophobicContact CD2-CD2 4.24Å
69	E	81.9	Confident	90.1	Very high	133 Å²	133	66.2 Å²	66.2	62%	0.621	34%	0.337	S	S	*	.	S	Bend	trans	-59.4	-44	-171.4	-79.4	-179.3	-175.1	0	0	113.2	S66	S66-E69 PolarHBondContact O-N 3.45Å; S66-E69 VanDerWaalsContact O-N 3.08Å
70	D	76.4	Confident	90.5	Very high	139 Å²	139	64.9 Å²	64.9	74%	0.743	34%	0.336	S	S	*	.	S	Bend	trans	-76.4	-24.6	-177.4	-61.3	-37.3	0	0	0	113.5	L68 V179	L68-D70 PolarHBondContact O-N 3.29Å; D70-V179 HydrophobicContact CB-CG1 3.66Å
71	A	83.9	Confident	90.8	Very high	19 Å²	19	64.7 Å²	64.7	16%	0.157	34%	0.336	C	S	.	.			trans	-152.4	90.5	-176.9	0	0	0	0	0	111	L68 V179 R180	L68-A71 CarbonylContact O-C 3.57Å; L68-A71 VanDerWaalsContact O-C 3.26Å; L68-A71 PolarHBondContact O-N 3.29Å; A71-V179 HydrophobicContact CB-CG1 4.34Å; A71-R180 VanDerWaalsContact O-CZ 3.27Å; A71-R180 PolarHBondContact O-NH1 3.06Å; A71-R180 PolarHBondContact O-NH2 2.88Å
72	R	90.8	Very high	90.9	Very high	201 Å²	201	70.4 Å²	70.4	76%	0.758	36%	0.359	S	S	*	.			trans	-78.7	-26.8	-178.2	-67.1	-175.7	179.8	-171.2	-1.6	114	L68	L68-R72 VanDerWaalsContact O-CG 3.23Å; L68-R72 WeakPolarHBondContact O-CG 3.26Å; L68-R72 PolarHBondContact O-N 2.96Å
73	E	92.8	Very high	91.1	Very high	108 Å²	108	71.4 Å²	71.4	51%	0.505	37%	0.365	S	S	.	.			trans	-76.7	131.6	-177.6	-154.5	-171.6	169.7	0	0	110.2	F75 T92 K217	E73-F75 HydrophobicContact CB-CD1 3.98Å; E73-F75 HydrophobicContact CB-CE1 4.11Å; E73-F75 HydrophobicContact CG-CD1 3.69Å; E73-F75 HydrophobicContact CG-CE1 4.17Å; E73-T92 PolarHBondContact O-OG1 2.99Å; E73-K217 WeakPolarHBondContact OE1-CE 3.3Å; E73-K217 IonicContact OE1-NZ 3.08Å; E73-K217 PolarHBondContact OE1-NZ 3.34Å; E73-K217 IonicContact OE2-NZ 2.82Å
74	L	94.7	Very high	91.4	Very high	32 Å²	32	71.5 Å²	71.5	17%	0.168	36%	0.362	C	S	.	.			trans	-113	109.6	177.7	-63.4	-176.4	0	0	0	109	L54 I57 R58 L68 T92 Y214 P215	L54-L74 HydrophobicContact CD2-CB 3.99Å; L54-L74 HydrophobicContact CD2-CD2 3.87Å; L54-L74 HydrophobicContact CD2-CG 4.46Å; I57-L74 HydrophobicContact CG2-CD2 3.81Å; R58-L74 HydrophobicContact CB-CD1 4.16Å; L68-L74 HydrophobicContact CD2-CD2 4.24Å; L74-T92 WeakPolarHBondContact CA-OG1 3.43Å; L74-Y214 HydrophobicContact CB-CD1 3.9Å; L74-Y214 HydrophobicContact CB-CE1 4.05Å; L74-Y214 HydrophobicContact CD1-CE1 3.93Å; L74-P215 WeakPolarHBondContact O-CD 3.26Å
75	F	95.7	Very high	91.8	Very high	31 Å²	31	74.3 Å²	74.3	14%	0.136	37%	0.368	C	S	.	.			trans	-154	165.3	-177.2	65.9	-93.5	0	0	0	112.3	E73 K77 T92 P215 K217	E73-F75 HydrophobicContact CB-CD1 3.98Å; E73-F75 HydrophobicContact CB-CE1 4.11Å; E73-F75 HydrophobicContact CG-CD1 3.69Å; E73-F75 HydrophobicContact CG-CE1 4.17Å; F75-K77 HydrophobicContact CD2-CB 3.94Å; F75-K77 HydrophobicContact CE2-CB 3.79Å; F75-K77 HydrophobicContact CE2-CD 4.49Å; F75-T92 HydrophobicContact CD1-CG2 3.99Å; F75-T92 HydrophobicContact CE1-CG2 3.56Å; F75-T92 HydrophobicContact CE2-CG2 4.1Å; F75-T92 HydrophobicContact CG-CG2 4.46Å; F75-T92 HydrophobicContact CZ-CG2 3.61Å; F75-T92 PolarHBondContact N-OG1 2.93Å; F75-T92 PolarHBondContact O-N 3.21Å; F75-T92 PolarHBondContact O-OG1 2.95Å; F75-P215 HydrophobicContact CB-CB 4.46Å; F75-K217 HydrophobicContact CD2-CD 4.17Å; F75-K217 HydrophobicContact CG-CD 4.39Å
76	I	96.9	Very high	92.1	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.6	170.3	-53.3	173	0	0	0	107.2	I47 L54 I89 V90 I212 P215 I216 K217	I47-I76 HydrophobicContact CG2-CD1 3.93Å; L54-I76 HydrophobicContact CD1-CD1 4.13Å; L54-I76 HydrophobicContact CD1-CG1 3.61Å; I76-I89 HydrophobicContact CG2-CG2 3.97Å; I76-V90 CarbonylContact C-O 3.6Å; I76-V90 WeakPolarHBondContact CA-O 3.34Å; I76-I212 HydrophobicContact CD1-CG2 4.48Å; I76-P215 PolarHBondContact N-O 2.92Å; I76-I216 CarbonylContact O-C 3.5Å; I76-I216 WeakPolarHBondContact O-CA 3.26Å; I76-K217 PolarHBondContact O-N 3.07Å
77	K	96.9	Very high	92.5	Very high	50 Å²	50	67.6 Å²	67.6	22%	0.217	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.8	-179.3	175	177.6	173.7	172.7	0	110.4	F75 V79 I89 V90 K217 E280	F75-K77 HydrophobicContact CD2-CB 3.94Å; F75-K77 HydrophobicContact CE2-CB 3.79Å; F75-K77 HydrophobicContact CE2-CD 4.49Å; K77-V79 HydrophobicContact CD-CG2 4.2Å; K77-V79 HydrophobicContact CG-CG2 3.91Å; K77-I89 CarbonylContact O-C 3.53Å; K77-I89 WeakPolarHBondContact O-CA 3.48Å; K77-V90 HydrophobicContact CB-CB 4.32Å; K77-V90 PolarHBondContact N-O 2.93Å; K77-V90 PolarHBondContact O-N 2.82Å; K77-K217 CarbonylContact C-O 3.59Å; K77-K217 WeakPolarHBondContact CA-O 3.38Å; K77-K217 HydrophobicContact CB-CB 4.4Å; K77-E280 WeakPolarHBondContact CE-OE1 3.26Å; K77-E280 IonicContact NZ-OE1 2.66Å; K77-E280 PolarHBondContact NZ-OE1 2.89Å
78	I	97.2	Very high	92.9	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	125.9	179.6	-60.8	168.1	0	0	0	108.3	L43 I47 L87 T88 I89 I201 I205 I216 K217 L218 L219	L43-I78 HydrophobicContact CD1-CD1 4.15Å; I47-I78 HydrophobicContact CD1-CD1 4.08Å; I78-L87 HydrophobicContact CG2-CD1 3.7Å; I78-T88 CarbonylContact C-O 3.58Å; I78-T88 WeakPolarHBondContact CA-O 3.11Å; I78-I89 HydrophobicContact CG1-CG1 4.46Å; I78-I201 HydrophobicContact CG2-CG2 4.28Å; I78-I205 HydrophobicContact CD1-CD1 3.36Å; I78-I205 HydrophobicContact CD1-CG1 4.3Å; I78-I216 HydrophobicContact CD1-CG2 3.89Å; I78-K217 PolarHBondContact N-O 3.35Å; I78-L218 HydrophobicContact CB-CD1 4.01Å; I78-L218 HydrophobicContact CG2-CD1 3.85Å; I78-L219 PolarHBondContact O-N 3.36Å
79	V	96.5	Very high	93.3	Very high	32 Å²	32	65 Å²	65	19%	0.194	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	96.4	-175.2	-176.1	0	0	0	0	108.7	K77 T88 L219	K77-V79 HydrophobicContact CD-CG2 4.2Å; K77-V79 HydrophobicContact CG-CG2 3.91Å; V79-T88 PolarHBondContact N-O 2.88Å; V79-T88 PolarHBondContact O-N 3.29Å; V79-L219 HydrophobicContact CG1-CB 4.47Å; V79-L219 HydrophobicContact CG1-CD2 3.77Å; V79-L219 HydrophobicContact CG2-CB 4.3Å
80	P	96.2	Very high	94	Very high	32 Å²	32	60 Å²	60	21%	0.208	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	136	169.6	29.8	-31.7	0	0	0	110.1	L87 L196 I201 L218	P80-L87 HydrophobicContact CB-CD1 4Å; P80-L196 HydrophobicContact CB-CD2 4.35Å; P80-I201 HydrophobicContact CB-CD1 3.92Å; P80-I201 HydrophobicContact CG-CD1 4.01Å; P80-L218 HydrophobicContact CG-CD1 4.28Å
81	N	94.7	Very high	95	Very high	45 Å²	45	53.8 Å²	53.8	24%	0.241	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	101.6	174.4	178	-11.7	0	0	0	109.2	N83 D84 R85 T86	N81-N83 VanDerWaalsContact C-N 3.34Å; N81-N83 WeakPolarHBondContact OD1-CB 3.29Å; N81-N83 PolarHBondContact OD1-N 3.32Å; N81-D84 PolarHBondContact ND2-OD2 3.46Å; N81-D84 PolarHBondContact OD1-N 2.91Å; N81-R85 WeakPolarHBondContact O-CA 3.4Å; N81-R85 PolarHBondContact O-N 3.44Å; N81-R85 VanDerWaalsContact O-N 3.14Å; N81-T86 PolarHBondContact N-O 2.9Å; N81-T86 PolarHBondContact O-N 2.78Å
82	K	92.4	Very high	95.6	Very high	138 Å²	138	53.6 Å²	53.6	60%	0.6	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-30.1	-178.7	-67.3	-177	179.1	-179.3	0	112.9	R85 L196	K82-R85 PolarHBondContact O-N 3.36Å; K82-L196 VanDerWaalsContact CE-O 3.27Å; K82-L196 WeakPolarHBondContact CE-O 3.39Å; K82-L196 HydrophobicContact CG-CB 4.1Å
83	N	92	Very high	95.8	Very high	151 Å²	151	44 Å²	44	81%	0.807	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-46.4	-178.1	-63.4	-24.2	0	0	0	110.9	N81 R85	N81-N83 VanDerWaalsContact C-N 3.34Å; N81-N83 WeakPolarHBondContact OD1-CB 3.29Å; N81-N83 PolarHBondContact OD1-N 3.32Å; N83-R85 VanDerWaalsContact C-N 3.32Å
84	D	93.8	Very high	95.8	Very high	109 Å²	109	39.5 Å²	39.5	58%	0.583	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-0.8	179.8	-63	-35.4	0	0	0	113.2	N81 T86	N81-D84 PolarHBondContact ND2-OD2 3.46Å; N81-D84 PolarHBondContact OD1-N 2.91Å; D84-T86 VanDerWaalsContact C-N 3.28Å; D84-T86 HydrophobicContact CB-CG2 4.17Å; D84-T86 WeakPolarHBondContact O-CG2 3.39Å; D84-T86 PolarHBondContact O-N 2.82Å
85	R	96.3	Very high	95.7	Very high	120 Å²	120	38.3 Å²	38.3	45%	0.453	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	46.1	-172.6	-62.5	-178.6	-84.7	175.7	-6.2	111.9	N81 K82 N83 M188 E190 L193	N81-R85 WeakPolarHBondContact O-CA 3.4Å; N81-R85 PolarHBondContact O-N 3.44Å; N81-R85 VanDerWaalsContact O-N 3.14Å; K82-R85 PolarHBondContact O-N 3.36Å; N83-R85 VanDerWaalsContact C-N 3.32Å; R85-M188 WeakPolarHBondContact O-CB 3.4Å; R85-M188 WeakPolarHBondContact O-CG 3.45Å; R85-M188 PolarHBondContact O-N 2.98Å; R85-E190 IonicContact NH1-OE1 2.74Å; R85-E190 PolarHBondContact NH1-OE1 3.1Å; R85-L193 HydrophobicContact CB-CD2 4.01Å; R85-L193 HydrophobicContact CG-CD2 3.92Å
86	T	97.4	Very high	95.7	Very high	8 Å²	8	38.8 Å²	38.8	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.4	-179	59.1	0	0	0	0	113.3	N81 D84 T185 L186 Y187 L196	N81-T86 PolarHBondContact N-O 2.9Å; N81-T86 PolarHBondContact O-N 2.78Å; D84-T86 VanDerWaalsContact C-N 3.28Å; D84-T86 HydrophobicContact CB-CG2 4.17Å; D84-T86 WeakPolarHBondContact O-CG2 3.39Å; D84-T86 PolarHBondContact O-N 2.82Å; T86-T185 HydrophobicContact CG2-CG2 3.98Å; T86-L186 CarbonylContact C-O 3.57Å; T86-L186 WeakPolarHBondContact CA-O 3.34Å; T86-L186 WeakPolarHBondContact CB-O 3.44Å; T86-Y187 HydrophobicContact CG2-CD1 3.46Å; T86-Y187 VanDerWaalsContact CG2-CD1 3.46Å; T86-Y187 HydrophobicContact CG2-CE1 3.57Å; T86-Y187 HydrophobicContact CG2-CG 4.11Å; T86-L196 VanDerWaalsContact O-CD2 3.25Å; T86-L196 WeakPolarHBondContact O-CD2 3.39Å
87	L	97.8	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.6	167.8	-176.9	63	0	0	0	108.7	F42 I78 P80 I89 L186 M188 L196 I201	F42-L87 HydrophobicContact CE2-CD2 3.87Å; F42-L87 HydrophobicContact CZ-CD2 3.92Å; I78-L87 HydrophobicContact CG2-CD1 3.7Å; P80-L87 HydrophobicContact CB-CD1 4Å; L87-I89 HydrophobicContact CD2-CD1 4.48Å; L87-I89 HydrophobicContact CG-CD1 4.18Å; L87-L186 HydrophobicContact CB-CB 4.32Å; L87-L186 HydrophobicContact CB-CD1 4.5Å; L87-L186 HydrophobicContact CD2-CD1 4.39Å; L87-L186 PolarHBondContact N-O 3.39Å; L87-L186 WeakPolarHBondContact O-CB 2.99Å; L87-L186 PolarHBondContact O-N 2.85Å; L87-M188 HydrophobicContact CB-SD 3.83Å; L87-L196 HydrophobicContact CB-CD2 3.84Å; L87-L196 HydrophobicContact CD1-CD2 4.41Å; L87-I201 HydrophobicContact CD1-CD1 4.1Å
88	T	97.5	Very high	95.5	Very high	15 Å²	15	42.2 Å²	42.2	9%	0.092	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.9	-178.8	-53.1	0	0	0	0	110.7	I78 V79 V90 K183 V184	I78-T88 CarbonylContact C-O 3.58Å; I78-T88 WeakPolarHBondContact CA-O 3.11Å; V79-T88 PolarHBondContact N-O 2.88Å; V79-T88 PolarHBondContact O-N 3.29Å; T88-V90 HydrophobicContact CG2-CG2 3.9Å; T88-K183 HydrophobicContact CG2-CD 4.25Å; T88-K183 HydrophobicContact CG2-CG 3.59Å; T88-V184 CarbonylContact C-O 3.5Å; T88-V184 VanDerWaalsContact CA-O 3.3Å; T88-V184 WeakPolarHBondContact CA-O 3.46Å
89	I	97.6	Very high	95.4	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	120.5	172.6	-57.9	80.4	0	0	0	107.2	L43 L46 I76 K77 I78 L87 K183 V184 L186	L43-I89 HydrophobicContact CD1-CG1 4.29Å; L46-I89 HydrophobicContact CD1-CD1 3.84Å; L46-I89 HydrophobicContact CD1-CG1 4.42Å; I76-I89 HydrophobicContact CG2-CG2 3.97Å; K77-I89 CarbonylContact O-C 3.53Å; K77-I89 WeakPolarHBondContact O-CA 3.48Å; I78-I89 HydrophobicContact CG1-CG1 4.46Å; L87-I89 HydrophobicContact CD2-CD1 4.48Å; L87-I89 HydrophobicContact CG-CD1 4.18Å; I89-K183 CarbonylContact O-C 3.52Å; I89-K183 WeakPolarHBondContact O-CA 3.35Å; I89-V184 PolarHBondContact N-O 2.98Å; I89-V184 PolarHBondContact O-N 3.3Å; I89-L186 HydrophobicContact CD1-CD1 3.97Å; I89-L186 HydrophobicContact CD1-CG 4.22Å
90	V	97.1	Very high	95.2	Very high	30 Å²	30	45.2 Å²	45.2	18%	0.182	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.1	-179.8	-174.1	0	0	0	0	108.6	I76 K77 T88 T182 K183	I76-V90 CarbonylContact C-O 3.6Å; I76-V90 WeakPolarHBondContact CA-O 3.34Å; K77-V90 HydrophobicContact CB-CB 4.32Å; K77-V90 PolarHBondContact N-O 2.93Å; K77-V90 PolarHBondContact O-N 2.82Å; T88-V90 HydrophobicContact CG2-CG2 3.9Å; V90-T182 CarbonylContact C-O 3.52Å; V90-T182 WeakPolarHBondContact CA-O 3.45Å; V90-K183 HydrophobicContact CG2-CB 4.36Å; V90-K183 HydrophobicContact CG2-CD 4.46Å; V90-K183 HydrophobicContact CG2-CG 4.12Å
91	D	96.6	Very high	95.1	Very high	7 Å²	7	43.7 Å²	43.7	4%	0.037	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	151.1	169	72.4	78.6	0	0	0	111.4	S50 G93 G181 T182	S50-D91 PolarHBondContact OG-OD2 2.97Å; D91-G93 VanDerWaalsContact C-N 3.34Å; D91-G93 PolarHBondContact OD1-N 3.13Å; D91-G181 WeakPolarHBondContact O-CA 3.16Å; D91-T182 PolarHBondContact N-O 2.9Å; D91-T182 PolarHBondContact O-N 3.08Å; D91-T182 PolarHBondContact OD1-N 3.5Å; D91-T182 WeakPolarHBondContact OD2-CB 3.17Å
92	T	96	Very high	95	Very high	15 Å²	15	45 Å²	45	9%	0.092	23%	0.231	C	C	.	.			trans	-101	27.4	178.1	44.6	0	0	0	0	111.6	L54 E73 L74 F75 R180	L54-T92 VanDerWaalsContact CD2-C 3.48Å; L54-T92 WeakPolarHBondContact CD2-OG1 3.32Å; E73-T92 PolarHBondContact O-OG1 2.99Å; L74-T92 WeakPolarHBondContact CA-OG1 3.43Å; F75-T92 HydrophobicContact CD1-CG2 3.99Å; F75-T92 HydrophobicContact CE1-CG2 3.56Å; F75-T92 HydrophobicContact CE2-CG2 4.1Å; F75-T92 HydrophobicContact CG-CG2 4.46Å; F75-T92 HydrophobicContact CZ-CG2 3.61Å; F75-T92 PolarHBondContact N-OG1 2.93Å; F75-T92 PolarHBondContact O-N 3.21Å; F75-T92 PolarHBondContact O-OG1 2.95Å; T92-R180 PolarHBondContact O-NE 3.15Å; T92-R180 PolarHBondContact O-NH2 3Å
93	G	94.8	Very high	94.9	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-70.3	-163.1	-178.4	0	0	0	0	0	113.7	A53 D91 G95 R180 G181	A53-G93 WeakPolarHBondContact O-CA 3.29Å; D91-G93 VanDerWaalsContact C-N 3.34Å; D91-G93 PolarHBondContact OD1-N 3.13Å; G93-G95 PolarHBondContact O-N 3.32Å; G93-R180 WeakPolarHBondContact O-CD 3.4Å; G93-R180 VanDerWaalsContact O-CG 3.32Å; G93-R180 WeakPolarHBondContact O-CG 3.31Å; G93-R180 PolarHBondContact O-NE 2.82Å; G93-G181 WeakPolarHBondContact O-CA 3.49Å
94	C	93.1	Very high	94.8	Very high	14 Å²	14	36.6 Å²	36.6	10%	0.095	19%	0.193	C	C	.	.			trans	-65.1	-25	179.4	60.5	0	0	0	0	113.8	A53 K56 I57 H152	A53-C94 PolarHBondContact O-N 2.89Å; A53-C94 VanDerWaalsContact O-N 3.12Å; K56-C94 HydrophobicContact CB-CB 4.36Å; I57-C94 HydrophobicContact CB-CB 4.1Å; C94-H152 WeakPolarHBondContact O-CA 3.4Å; C94-H152 PolarHBondContact O-CD2 2.7Å
95	G	94.1	Very high	94.5	Very high	6 Å²	6	32.2 Å²	32.2	6%	0.062	17%	0.169	C	C	.	.			trans	74.7	-172.2	-170.2	0	0	0	0	0	112.5	G93 S150	G93-G95 PolarHBondContact O-N 3.32Å; G95-S150 WeakPolarHBondContact CA-OG 3.48Å
96	M	95.2	Very high	93.8	Very high	41 Å²	41	27.7 Å²	27.7	20%	0.202	16%	0.16	C	C	.	.			trans	-134.6	136.4	-178.5	-73.6	177.7	-75.3	0	0	110.1	D100 L101 V148 S150 T182	M96-D100 HydrophobicContact CB-CB 3.81Å; M96-D100 HydrophobicContact CG-CB 4.07Å; M96-L101 HydrophobicContact CB-CD2 4.11Å; M96-L101 HydrophobicContact CB-CG 4.1Å; M96-L101 HydrophobicContact CE-CD2 3.73Å; M96-L101 HydrophobicContact SD-CD2 4.02Å; M96-V148 HydrophobicContact CE-CG1 3.99Å; M96-S150 PolarHBondContact N-OG 2.79Å; M96-T182 HydrophobicContact CE-CG2 4.06Å
97	T	94.7	Very high	93.1	Very high	26 Å²	26	30 Å²	30	16%	0.16	17%	0.174	C	C	.	.			trans	-71.2	168.5	169.5	67.2	0	0	0	0	110.6	A99 D100 L101 H152 D155	T97-A99 PolarHBondContact O-N 2.89Å; T97-A99 PolarHBondContact OG1-N 2.79Å; T97-D100 WeakPolarHBondContact CB-OD2 3.31Å; T97-D100 WeakPolarHBondContact CG2-OD2 3.41Å; T97-D100 PolarHBondContact N-OD2 2.92Å; T97-D100 PolarHBondContact O-N 2.86Å; T97-D100 VanDerWaalsContact O-N 3.09Å; T97-D100 VanDerWaalsContact OG1-CG 3.25Å; T97-D100 PolarHBondContact OG1-N 3.36Å; T97-D100 VanDerWaalsContact OG1-N 3.12Å; T97-D100 PolarHBondContact OG1-OD2 2.75Å; T97-L101 PolarHBondContact O-N 2.69Å; T97-H152 HydrophobicContact CG2-CB 3.99Å; T97-D155 WeakPolarHBondContact CA-OD2 3.46Å; T97-D155 WeakPolarHBondContact CB-OD2 3.23Å; T97-D155 HydrophobicContact CG2-CB 3.97Å
98	K	95.1	Very high	92.4	Very high	96 Å²	96	31.7 Å²	31.7	42%	0.417	18%	0.183	S	C	.	.	H	α-helix	trans	-54.9	-38.9	171.2	-172.8	179.8	-177.1	176.5	0	111.8	I102 D155 Y158 I170	K98-I102 HydrophobicContact CG-CD1 4.37Å; K98-I102 WeakPolarHBondContact O-CG1 3.44Å; K98-I102 PolarHBondContact O-N 2.82Å; K98-D155 PolarHBondContact N-OD2 3.47Å; K98-Y158 HydrophobicContact CB-CD1 4.45Å; K98-Y158 HydrophobicContact CB-CD2 4.03Å; K98-Y158 HydrophobicContact CB-CE1 4.15Å; K98-Y158 HydrophobicContact CB-CE2 3.72Å; K98-Y158 HydrophobicContact CB-CG 4.38Å; K98-Y158 HydrophobicContact CD-CD1 4.35Å; K98-Y158 HydrophobicContact CD-CE1 3.76Å; K98-Y158 HydrophobicContact CG-CD1 4.35Å; K98-Y158 HydrophobicContact CG-CE1 4.15Å; K98-I170 HydrophobicContact CG-CG2 4.4Å
99	A	94.3	Very high	91.7	Very high	47 Å²	47	34.4 Å²	34.4	39%	0.388	21%	0.207	S	C	.	.	H	α-helix	trans	-66.3	-40	178.2	0	0	0	0	0	111.6	T97 I102 N103	T97-A99 PolarHBondContact O-N 2.89Å; T97-A99 PolarHBondContact OG1-N 2.79Å; A99-I102 PolarHBondContact O-N 2.9Å; A99-N103 WeakPolarHBondContact O-CB 3.23Å; A99-N103 VanDerWaalsContact O-CG 3.28Å; A99-N103 PolarHBondContact O-N 2.65Å; A99-N103 PolarHBondContact O-ND2 2.81Å; A99-N103 VanDerWaalsContact O-ND2 3.11Å
100	D	93.3	Very high	91.1	Very high	49 Å²	49	38.8 Å²	38.8	26%	0.262	23%	0.226	S	C	.	.	H	α-helix	trans	-66.4	-40.2	176.9	-65.6	-52.4	0	0	0	112.4	M96 T97 I102 N103 N104 L105	M96-D100 HydrophobicContact CB-CB 3.81Å; M96-D100 HydrophobicContact CG-CB 4.07Å; T97-D100 WeakPolarHBondContact CB-OD2 3.31Å; T97-D100 WeakPolarHBondContact CG2-OD2 3.41Å; T97-D100 PolarHBondContact N-OD2 2.92Å; T97-D100 PolarHBondContact O-N 2.86Å; T97-D100 VanDerWaalsContact O-N 3.09Å; T97-D100 VanDerWaalsContact OG1-CG 3.25Å; T97-D100 PolarHBondContact OG1-N 3.36Å; T97-D100 VanDerWaalsContact OG1-N 3.12Å; T97-D100 PolarHBondContact OG1-OD2 2.75Å; D100-I102 VanDerWaalsContact C-N 3.26Å; D100-I102 PolarHBondContact O-N 2.89Å; D100-N103 PolarHBondContact O-N 2.9Å; D100-N104 WeakPolarHBondContact O-CA 3.05Å; D100-N104 VanDerWaalsContact O-CB 3.25Å; D100-N104 WeakPolarHBondContact O-CB 3.46Å; D100-N104 PolarHBondContact O-N 3.31Å; D100-N104 PolarHBondContact OD1-ND2 2.82Å; D100-L105 PolarHBondContact O-N 3.47Å
101	L	93	Very high	90.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-59.7	-38.2	175.3	-70.7	172.2	0	0	0	111.7	M96 T97 L105 G106 V148 W160 I170	M96-L101 HydrophobicContact CB-CD2 4.11Å; M96-L101 HydrophobicContact CB-CG 4.1Å; M96-L101 HydrophobicContact CE-CD2 3.73Å; M96-L101 HydrophobicContact SD-CD2 4.02Å; T97-L101 PolarHBondContact O-N 2.69Å; L101-L105 HydrophobicContact CD2-CD2 4.09Å; L101-L105 WeakPolarHBondContact O-CB 3.42Å; L101-G106 PolarHBondContact O-N 2.96Å; L101-G106 VanDerWaalsContact O-N 3.16Å; L101-V148 HydrophobicContact CD2-CG1 4.4Å; L101-W160 HydrophobicContact CD1-CB 4.43Å; L101-W160 HydrophobicContact CD2-CB 4.15Å; L101-I170 HydrophobicContact CB-CD1 3.83Å
102	I	92.2	Very high	89.7	Confident	73 Å²	73	38.7 Å²	38.7	37%	0.374	23%	0.23	S	C	.	.	I	π-helix	trans	-73.6	-50.8	176.5	-63.6	167.2	0	0	0	110.6	K98 A99 D100 G106 I170	K98-I102 HydrophobicContact CG-CD1 4.37Å; K98-I102 WeakPolarHBondContact O-CG1 3.44Å; K98-I102 PolarHBondContact O-N 2.82Å; A99-I102 PolarHBondContact O-N 2.9Å; D100-I102 VanDerWaalsContact C-N 3.26Å; D100-I102 PolarHBondContact O-N 2.89Å; I102-G106 WeakPolarHBondContact O-CA 3.14Å; I102-G106 PolarHBondContact O-N 2.88Å; I102-I170 HydrophobicContact CD1-CD1 4.24Å; I102-I170 HydrophobicContact CG1-CD1 3.41Å; I102-I170 VanDerWaalsContact CG1-CD1 3.41Å
103	N	91.1	Very high	89.1	Confident	74 Å²	74	38.6 Å²	38.6	40%	0.396	23%	0.229	S	C	.	.	I	π-helix	trans	-87.2	-25.9	-164.6	-70.4	-37.8	0	0	0	114.4	A99 D100 T107 K110	A99-N103 WeakPolarHBondContact O-CB 3.23Å; A99-N103 VanDerWaalsContact O-CG 3.28Å; A99-N103 PolarHBondContact O-N 2.65Å; A99-N103 PolarHBondContact O-ND2 2.81Å; A99-N103 VanDerWaalsContact O-ND2 3.11Å; D100-N103 PolarHBondContact O-N 2.9Å; N103-T107 WeakPolarHBondContact O-CB 3.31Å; N103-T107 PolarHBondContact O-OG1 3.21Å; N103-K110 WeakPolarHBondContact O-CD 3.27Å; N103-K110 VanDerWaalsContact O-CE 3.22Å; N103-K110 WeakPolarHBondContact O-CE 3.29Å; N103-K110 PolarHBondContact O-NZ 3.39Å
104	N	90.2	Very high	88.6	Confident	37 Å²	37	43.9 Å²	43.9	20%	0.198	25%	0.252	C	S	.	.	I	π-helix	trans	-105.3	-54.8	-178.9	-56.8	-32.2	0	0	0	110.1	D100	D100-N104 WeakPolarHBondContact O-CA 3.05Å; D100-N104 VanDerWaalsContact O-CB 3.25Å; D100-N104 WeakPolarHBondContact O-CB 3.46Å; D100-N104 PolarHBondContact O-N 3.31Å; D100-N104 PolarHBondContact OD1-ND2 2.82Å
105	L	87.4	Confident	88.2	Confident	18 Å²	18	45.9 Å²	45.9	9%	0.094	27%	0.27	C	S	.	.	I	π-helix	trans	-74.6	-34.2	-177.5	-161.3	69.4	0	0	0	112.8	D100 L101 T107 F136 Y137 V148 W160	D100-L105 PolarHBondContact O-N 3.47Å; L101-L105 HydrophobicContact CD2-CD2 4.09Å; L101-L105 WeakPolarHBondContact O-CB 3.42Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-F136 HydrophobicContact CD1-CB 4.18Å; L105-F136 HydrophobicContact CD1-CD1 3.33Å; L105-F136 HydrophobicContact CD1-CD2 3.7Å; L105-F136 HydrophobicContact CD1-CE1 3.49Å; L105-F136 VanDerWaalsContact CD1-CE1 3.49Å; L105-F136 HydrophobicContact CD1-CE2 3.85Å; L105-F136 HydrophobicContact CD1-CG 3.44Å; L105-F136 VanDerWaalsContact CD1-CG 3.44Å; L105-F136 HydrophobicContact CD1-CZ 3.75Å; L105-F136 HydrophobicContact CD2-CE1 4.15Å; L105-F136 HydrophobicContact CD2-CZ 4Å; L105-F136 HydrophobicContact CG-CD1 4.02Å; L105-F136 HydrophobicContact CG-CE1 3.76Å; L105-F136 HydrophobicContact CG-CZ 4.09Å; L105-Y137 PolarHBondContact O-OH 3.17Å; L105-V148 HydrophobicContact CD2-CB 4.19Å; L105-V148 HydrophobicContact CD2-CG1 4.24Å; L105-V148 HydrophobicContact CD2-CG2 4.01Å; L105-W160 HydrophobicContact CD2-CD2 3.67Å; L105-W160 HydrophobicContact CD2-CE3 3.98Å; L105-W160 HydrophobicContact CD2-CG 3.95Å; L105-W160 HydrophobicContact CD2-CZ2 4.3Å; L105-W160 HydrophobicContact CD2-CZ3 4.41Å; L105-W160 HydrophobicContact CG-CZ2 4.44Å
106	G	81	Confident	87.7	Confident	25 Å²	25	47.2 Å²	47.2	26%	0.258	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-3.3	178.5	0	0	0	0	0	115.4	L101 I102 F168	L101-G106 PolarHBondContact O-N 2.96Å; L101-G106 VanDerWaalsContact O-N 3.16Å; I102-G106 WeakPolarHBondContact O-CA 3.14Å; I102-G106 PolarHBondContact O-N 2.88Å; G106-F168 VanDerWaalsContact CA-CE1 3.4Å
107	T	83.2	Confident	86.9	Confident	57 Å²	57	48 Å²	48	35%	0.35	28%	0.278	S	S	.	.	S	Bend	trans	-121.2	116.3	-175.3	-56.8	0	0	0	0	111	N103 L105 K110	N103-T107 WeakPolarHBondContact O-CB 3.31Å; N103-T107 PolarHBondContact O-OG1 3.21Å; L105-T107 VanDerWaalsContact C-N 3.33Å; T107-K110 HydrophobicContact CG2-CB 3.81Å; T107-K110 HydrophobicContact CG2-CD 4.09Å; T107-K110 PolarHBondContact O-N 3.14Å
108	I	83.4	Confident	86.3	Confident	34 Å²	34	52.4 Å²	52.4	17%	0.174	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	140.2	176.7	-59.9	172.8	0	0	0	110.1	I24 L27 M28 I31 K110 V134 Y137	I24-I108 HydrophobicContact CG2-CD1 4Å; L27-I108 HydrophobicContact CB-CD1 4.44Å; L27-I108 HydrophobicContact CD2-CB 4.4Å; L27-I108 HydrophobicContact CD2-CD1 3.89Å; L27-I108 HydrophobicContact CD2-CG2 3.86Å; L27-I108 HydrophobicContact CG-CD1 4.08Å; L27-I108 HydrophobicContact CG-CG2 4.38Å; M28-I108 HydrophobicContact CG-CD1 3.82Å; M28-I108 HydrophobicContact SD-CD1 3.59Å; M28-I108 VanDerWaalsContact SD-CD1 3.59Å; M28-I108 HydrophobicContact SD-CG1 4.05Å; I31-I108 HydrophobicContact CD1-CD1 4.32Å; I31-I108 HydrophobicContact CD1-CG2 3.58Å; I108-K110 PolarHBondContact O-N 3.46Å; I108-V134 HydrophobicContact CG2-CG1 4.31Å; I108-Y137 HydrophobicContact CB-CE2 4.36Å; I108-Y137 HydrophobicContact CG1-CE2 3.84Å
109	A	82	Confident	85.6	Confident	72 Å²	72	51.7 Å²	51.7	60%	0.595	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	24.5	178.9	0	0	0	0	0	114.4	F132 G133	A109-F132 WeakPolarHBondContact CA-O 3.39Å; A109-G133 PolarHBondContact N-O 2.78Å; A109-G133 VanDerWaalsContact N-O 3.11Å
110	K	84.6	Confident	84.8	Confident	93 Å²	93	50.4 Å²	50.4	40%	0.404	30%	0.295	S	S	.	.			trans	-117.9	130.6	170.6	-173.1	160.3	164.8	-165.8	0	110	N103 T107 I108 G133	N103-K110 WeakPolarHBondContact O-CD 3.27Å; N103-K110 VanDerWaalsContact O-CE 3.22Å; N103-K110 WeakPolarHBondContact O-CE 3.29Å; N103-K110 PolarHBondContact O-NZ 3.39Å; T107-K110 HydrophobicContact CG2-CB 3.81Å; T107-K110 HydrophobicContact CG2-CD 4.09Å; T107-K110 PolarHBondContact O-N 3.14Å; I108-K110 PolarHBondContact O-N 3.46Å; K110-G133 WeakPolarHBondContact O-CA 3.36Å
111	S	84.1	Confident	83.4	Confident	19 Å²	19	56.6 Å²	56.6	13%	0.133	32%	0.323	C	S	.	.			trans	-127.3	121.4	-179.3	174.5	0	0	0	0	110.9	T113 K114 A115 G130	S111-T113 PolarHBondContact O-N 3.05Å; S111-T113 WeakPolarHBondContact OG-CB 3.48Å; S111-T113 PolarHBondContact OG-N 2.85Å; S111-T113 VanDerWaalsContact OG-N 3.1Å; S111-K114 PolarHBondContact O-N 2.92Å; S111-K114 PolarHBondContact OG-N 3.31Å; S111-A115 PolarHBondContact O-N 3.03Å; S111-G130 WeakPolarHBondContact CB-O 3.01Å; S111-G130 PolarHBondContact OG-O 3.23Å
112	G	81.4	Confident	81.7	Confident	17 Å²	17	60.5 Å²	60.5	18%	0.175	35%	0.354	C	S	.	.	H	α-helix	trans	-65.5	-21.6	170	0	0	0	0	0	112.6	K56 F116	K56-G112 PolarHBondContact NZ-O 3.36Å; G112-F116 WeakPolarHBondContact O-CB 3.43Å; G112-F116 PolarHBondContact O-N 2.94Å
113	T	82.9	Confident	80	Confident	12 Å²	12	61.1 Å²	61.1	7%	0.074	38%	0.379	C	S	.	.	H	α-helix	trans	-69.1	-40.6	173.5	-59.5	0	0	0	0	111.2	D52 K56 S111 F116 M117 M128	D52-T113 HydrophobicContact CB-CG2 4.35Å; D52-T113 WeakPolarHBondContact OD2-CG2 3.29Å; D52-T113 PolarHBondContact OD2-OG1 3.06Å; K56-T113 PolarHBondContact NZ-OG1 3.16Å; S111-T113 PolarHBondContact O-N 3.05Å; S111-T113 WeakPolarHBondContact OG-CB 3.48Å; S111-T113 PolarHBondContact OG-N 2.85Å; S111-T113 VanDerWaalsContact OG-N 3.1Å; T113-F116 PolarHBondContact O-N 3.49Å; T113-M117 WeakPolarHBondContact O-CG 3.16Å; T113-M117 PolarHBondContact O-N 3.29Å; T113-M128 HydrophobicContact CG2-CB 3.44Å; T113-M128 VanDerWaalsContact CG2-CB 3.44Å; T113-M128 HydrophobicContact CG2-CG 3.84Å; T113-M128 HydrophobicContact CG2-SD 3.61Å
114	K	84.2	Confident	78.6	Confident	112 Å²	112	59.1 Å²	59.1	49%	0.487	37%	0.373	S	S	.	.	H	α-helix	trans	-62.5	-46.8	174	-176.9	-179.6	174.4	-176.6	0	111.5	S111 F116 M117 E118	S111-K114 PolarHBondContact O-N 2.92Å; S111-K114 PolarHBondContact OG-N 3.31Å; K114-F116 VanDerWaalsContact C-N 3.3Å; K114-F116 PolarHBondContact O-N 3.43Å; K114-M117 WeakPolarHBondContact O-CB 3.34Å; K114-M117 PolarHBondContact O-N 2.68Å; K114-E118 WeakPolarHBondContact CE-OE1 3.3Å; K114-E118 WeakPolarHBondContact O-CG 3.48Å; K114-E118 PolarHBondContact O-N 2.69Å
115	A	84.1	Confident	77.3	Confident	56 Å²	56	65.4 Å²	65.4	46%	0.463	41%	0.406	S	S	.	.	H	α-helix	trans	-60.8	-39.3	177.5	0	0	0	0	0	112.3	S111 E118 A119	S111-A115 PolarHBondContact O-N 3.03Å; A115-E118 PolarHBondContact O-N 3.44Å; A115-A119 PolarHBondContact O-N 2.84Å; A115-A119 VanDerWaalsContact O-N 3.09Å
116	F	83.9	Confident	76.4	Confident	34 Å²	34	65.7 Å²	65.7	15%	0.149	41%	0.408	C	S	.	.	H	α-helix	trans	-67.2	-43.1	175.8	-167.7	-94.3	0	0	0	111.7	K56 Y59 E60 G112 T113 K114 E118 A119 L120 I126 M128	K56-F116 HydrophobicContact CB-CE1 4.3Å; K56-F116 HydrophobicContact CB-CE2 4.28Å; K56-F116 HydrophobicContact CB-CZ 4.02Å; K56-F116 HydrophobicContact CD-CD2 4.29Å; K56-F116 HydrophobicContact CD-CG 4.22Å; K56-F116 HydrophobicContact CG-CD1 3.82Å; K56-F116 HydrophobicContact CG-CD2 4.1Å; K56-F116 HydrophobicContact CG-CE1 3.73Å; K56-F116 HydrophobicContact CG-CE2 4.06Å; K56-F116 HydrophobicContact CG-CG 3.97Å; K56-F116 HydrophobicContact CG-CZ 3.86Å; Y59-F116 HydrophobicContact CD1-CE1 4.32Å; Y59-F116 AromaticContact CD1-CZ 3.77Å; Y59-F116 HydrophobicContact CD1-CZ 3.77Å; Y59-F116 HydrophobicContact CG-CZ 4.41Å; E60-F116 HydrophobicContact CG-CE2 4.5Å; G112-F116 WeakPolarHBondContact O-CB 3.43Å; G112-F116 PolarHBondContact O-N 2.94Å; T113-F116 PolarHBondContact O-N 3.49Å; K114-F116 VanDerWaalsContact C-N 3.3Å; K114-F116 PolarHBondContact O-N 3.43Å; F116-E118 VanDerWaalsContact C-N 3.3Å; F116-E118 PolarHBondContact O-N 3.31Å; F116-A119 WeakPolarHBondContact O-CB 3.46Å; F116-A119 PolarHBondContact O-N 2.97Å; F116-A119 VanDerWaalsContact O-N 3.08Å; F116-L120 HydrophobicContact CD1-CD1 3.51Å; F116-L120 HydrophobicContact CD1-CG 3.93Å; F116-L120 HydrophobicContact CE1-CD1 3.52Å; F116-L120 HydrophobicContact CE1-CD2 4.02Å; F116-L120 HydrophobicContact CE1-CG 3.92Å; F116-L120 HydrophobicContact CZ-CD2 4.4Å; F116-L120 VanDerWaalsContact O-CG 3.28Å; F116-L120 WeakPolarHBondContact O-CG 3.35Å; F116-L120 PolarHBondContact O-N 2.93Å; F116-I126 HydrophobicContact CE1-CD1 4.4Å; F116-M128 HydrophobicContact CD1-CE 3.34Å; F116-M128 HydrophobicContact CD1-SD 3.82Å; F116-M128 HydrophobicContact CE1-CE 3.85Å; F116-M128 HydrophobicContact CE1-SD 4.4Å; F116-M128 HydrophobicContact CG-CE 4.45Å
117	M	79.7	Confident	75.6	Confident	58 Å²	58	65.1 Å²	65.1	29%	0.286	40%	0.4	S	S	.	.	H	α-helix	trans	-57.8	-40.5	172.7	-75.3	-64.9	-63.5	0	0	112.7	T113 K114 A119 L120 M128	T113-M117 WeakPolarHBondContact O-CG 3.16Å; T113-M117 PolarHBondContact O-N 3.29Å; K114-M117 WeakPolarHBondContact O-CB 3.34Å; K114-M117 PolarHBondContact O-N 2.68Å; M117-A119 VanDerWaalsContact C-N 3.3Å; M117-A119 PolarHBondContact O-N 2.8Å; M117-L120 PolarHBondContact O-N 3.18Å; M117-L120 HydrophobicContact SD-CD1 4.28Å; M117-M128 HydrophobicContact CG-CB 4.2Å; M117-M128 HydrophobicContact CG-CE 3.68Å; M117-M128 HydrophobicContact SD-CB 3.99Å; M117-M128 HydrophobicContact SD-CE 3.2Å; M117-M128 WeakPolarHBondContact SD-CE 3.12Å; M117-M128 HydrophobicContact SD-SD 4.49Å
118	E	81.3	Confident	75.3	Confident	117 Å²	117	62.4 Å²	62.4	55%	0.547	38%	0.383	S	S	.	.	H	α-helix	trans	-66.7	-30.4	176	-72.6	172.2	-176.7	0	0	112.5	K114 A115 F116 Q121	K114-E118 WeakPolarHBondContact CE-OE1 3.3Å; K114-E118 WeakPolarHBondContact O-CG 3.48Å; K114-E118 PolarHBondContact O-N 2.69Å; A115-E118 PolarHBondContact O-N 3.44Å; F116-E118 VanDerWaalsContact C-N 3.3Å; F116-E118 PolarHBondContact O-N 3.31Å; E118-Q121 WeakPolarHBondContact O-CG 3.4Å
119	A	80.6	Confident	74.9	Confident	82 Å²	82	61.3 Å²	61.3	68%	0.678	38%	0.378	S	S	*	.	H	α-helix	trans	-75.7	-25.9	174.6	0	0	0	0	0	113.1	A115 F116 M117 Q121	A115-A119 PolarHBondContact O-N 2.84Å; A115-A119 VanDerWaalsContact O-N 3.09Å; F116-A119 WeakPolarHBondContact O-CB 3.46Å; F116-A119 PolarHBondContact O-N 2.97Å; F116-A119 VanDerWaalsContact O-N 3.08Å; M117-A119 VanDerWaalsContact C-N 3.3Å; M117-A119 PolarHBondContact O-N 2.8Å; A119-Q121 PolarHBondContact O-N 2.87Å; A119-Q121 VanDerWaalsContact O-N 3.16Å
120	L	77.1	Confident	74.3	Confident	19 Å²	19	58.1 Å²	58.1	10%	0.099	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	18.5	-177.5	-72.8	174	0	0	0	115.1	Y59 F116 M117 A122 A124 I126 M128	Y59-L120 HydrophobicContact CD1-CD2 3.62Å; Y59-L120 HydrophobicContact CD2-CD2 4.28Å; Y59-L120 HydrophobicContact CE1-CD2 3.14Å; Y59-L120 HydrophobicContact CE2-CD2 3.85Å; Y59-L120 HydrophobicContact CG-CD2 4.13Å; F116-L120 HydrophobicContact CD1-CD1 3.51Å; F116-L120 HydrophobicContact CD1-CG 3.93Å; F116-L120 HydrophobicContact CE1-CD1 3.52Å; F116-L120 HydrophobicContact CE1-CD2 4.02Å; F116-L120 HydrophobicContact CE1-CG 3.92Å; F116-L120 HydrophobicContact CZ-CD2 4.4Å; F116-L120 VanDerWaalsContact O-CG 3.28Å; F116-L120 WeakPolarHBondContact O-CG 3.35Å; F116-L120 PolarHBondContact O-N 2.93Å; M117-L120 PolarHBondContact O-N 3.18Å; M117-L120 HydrophobicContact SD-CD1 4.28Å; L120-A122 CarbonylContact O-C 3.58Å; L120-A122 PolarHBondContact O-N 3.47Å; L120-A124 HydrophobicContact CD2-CB 3.96Å; L120-I126 HydrophobicContact CD1-CB 4.14Å; L120-I126 HydrophobicContact CD1-CD1 3.7Å; L120-I126 HydrophobicContact CD1-CG1 4.45Å; L120-I126 HydrophobicContact CD2-CD1 4.06Å; L120-M128 HydrophobicContact CD1-CE 3.52Å
121	Q	64.5	Low	73.9	Confident	180 Å²	180	58.1 Å²	58.1	84%	0.841	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-14.6	-177.8	-77.1	-177.6	5.4	0	0	115	E118 A119 G123	E118-Q121 WeakPolarHBondContact O-CG 3.4Å; A119-Q121 PolarHBondContact O-N 2.87Å; A119-Q121 VanDerWaalsContact O-N 3.16Å; Q121-G123 PolarHBondContact O-N 3.37Å
122	A	57.1	Low	73.6	Confident	81 Å²	81	60.7 Å²	60.7	67%	0.669	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	77.2	172.9	0	0	0	0	0	112.9	L120 A124	L120-A122 CarbonylContact O-C 3.58Å; L120-A122 PolarHBondContact O-N 3.47Å; A122-A124 PolarHBondContact O-N 3.11Å
123	G	56.8	Low	73.6	Confident	86 Å²	86	60.8 Å²	60.8	89%	0.887	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	22.2	153.7	0	0	0	0	0	118.2	Q121	Q121-G123 PolarHBondContact O-N 3.37Å
124	A	60.9	Low	73.8	Confident	32 Å²	32	60.6 Å²	60.6	26%	0.264	36%	0.362	S	S	.	.			trans	-80.8	128.8	-179.5	0	0	0	0	0	110.8	Y59 L120 A122 I126	Y59-A124 HydrophobicContact CD2-CB 4.21Å; Y59-A124 HydrophobicContact CE2-CB 3.54Å; L120-A124 HydrophobicContact CD2-CB 3.96Å; A122-A124 PolarHBondContact O-N 3.11Å; A124-I126 HydrophobicContact CB-CD1 4.03Å; A124-I126 HydrophobicContact CB-CG1 4.1Å; A124-I126 PolarHBondContact O-N 3.23Å
125	D	63.5	Low	73.9	Confident	169 Å²	169	55.6 Å²	55.6	90%	0.904	34%	0.342	S	S	*	.			trans	-77.4	64	173.8	-171.5	17.7	0	0	0	110.5
126	I	67.4	Low	74.3	Confident	24 Å²	24	54 Å²	54	12%	0.123	33%	0.325	C	S	.	.			trans	-120.9	115.4	179.6	-53.9	173.1	0	0	0	109.7	D55 Y59 F116 L120 A124 M128	D55-I126 HydrophobicContact CB-CG2 4.19Å; Y59-I126 HydrophobicContact CD1-CD1 4.24Å; Y59-I126 HydrophobicContact CD2-CD1 3.32Å; Y59-I126 HydrophobicContact CD2-CG1 4.34Å; Y59-I126 HydrophobicContact CE2-CD1 4.06Å; Y59-I126 HydrophobicContact CG-CD1 3.36Å; F116-I126 HydrophobicContact CE1-CD1 4.4Å; L120-I126 HydrophobicContact CD1-CB 4.14Å; L120-I126 HydrophobicContact CD1-CD1 3.7Å; L120-I126 HydrophobicContact CD1-CG1 4.45Å; L120-I126 HydrophobicContact CD2-CD1 4.06Å; A124-I126 HydrophobicContact CB-CD1 4.03Å; A124-I126 HydrophobicContact CB-CG1 4.1Å; A124-I126 PolarHBondContact O-N 3.23Å; I126-M128 HydrophobicContact CB-CE 4.31Å; I126-M128 HydrophobicContact CG2-CE 3.51Å; I126-M128 HydrophobicContact CG2-CG 3.98Å; I126-M128 HydrophobicContact CG2-SD 4.38Å
127	S	66.1	Low	74.7	Confident	13 Å²	13	53 Å²	53	9%	0.091	32%	0.32	C	S	.	.			trans	-102.2	100.7	174.5	-177.4	0	0	0	0	109.5	R359 E385	S127-R359 WeakPolarHBondContact OG-CD 3.12Å; S127-R359 VanDerWaalsContact OG-CG 3.28Å; S127-R359 WeakPolarHBondContact OG-CG 2.84Å; S127-R359 PolarHBondContact OG-NH1 2.93Å; S127-E385 VanDerWaalsContact CB-OE2 3.29Å; S127-E385 WeakPolarHBondContact CB-OE2 3.27Å; S127-E385 PolarHBondContact OG-OE2 3.11Å
128	M	76.6	Confident	75.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.307	C	S	.	.			trans	-102.2	146	176.8	-87.3	173.4	-77.2	0	0	112.3	D52 K56 T113 F116 M117 L120 I126	D52-M128 HydrophobicContact CB-CG 4.32Å; D52-M128 WeakPolarHBondContact OD1-CA 3.17Å; K56-M128 HydrophobicContact CG-SD 4.15Å; T113-M128 HydrophobicContact CG2-CB 3.44Å; T113-M128 VanDerWaalsContact CG2-CB 3.44Å; T113-M128 HydrophobicContact CG2-CG 3.84Å; T113-M128 HydrophobicContact CG2-SD 3.61Å; F116-M128 HydrophobicContact CD1-CE 3.34Å; F116-M128 HydrophobicContact CD1-SD 3.82Å; F116-M128 HydrophobicContact CE1-CE 3.85Å; F116-M128 HydrophobicContact CE1-SD 4.4Å; F116-M128 HydrophobicContact CG-CE 4.45Å; M117-M128 HydrophobicContact CG-CB 4.2Å; M117-M128 HydrophobicContact CG-CE 3.68Å; M117-M128 HydrophobicContact SD-CB 3.99Å; M117-M128 HydrophobicContact SD-CE 3.2Å; M117-M128 WeakPolarHBondContact SD-CE 3.12Å; M117-M128 HydrophobicContact SD-SD 4.49Å; L120-M128 HydrophobicContact CD1-CE 3.52Å; I126-M128 HydrophobicContact CB-CE 4.31Å; I126-M128 HydrophobicContact CG2-CE 3.51Å; I126-M128 HydrophobicContact CG2-CG 3.98Å; I126-M128 HydrophobicContact CG2-SD 4.38Å
129	I	73.5	Confident	75.9	Confident	12 Å²	12	44.7 Å²	44.7	6%	0.062	28%	0.281	C	S	.	.			trans	-98.7	-41.8	-167.3	-64.5	147.8	0	0	0	111.5	D52 Q131 R359 V361 R393	D52-I129 PolarHBondContact OD1-N 3.31Å; I129-Q131 PolarHBondContact O-N 3.47Å; I129-R359 HydrophobicContact CG1-CB 3.99Å; I129-V361 HydrophobicContact CD1-CG2 3.32Å; I129-V361 HydrophobicContact CG1-CG2 3.85Å; I129-V361 HydrophobicContact CG2-CG2 4.11Å; I129-R393 VanDerWaalsContact O-CZ 3.26Å; I129-R393 PolarHBondContact O-NH1 3.36Å; I129-R393 PolarHBondContact O-NH2 3.01Å
130	G	70.3	Confident	76.6	Confident	5 Å²	5	41.1 Å²	41.1	5%	0.052	25%	0.25	C	C	.	.			trans	-73.9	52.9	-164.1	0	0	0	0	0	117.7	D52 S111	D52-G130 VanDerWaalsContact OD2-CA 3.24Å; D52-G130 WeakPolarHBondContact OD2-CA 3.37Å; D52-G130 PolarHBondContact OD2-N 3.19Å; S111-G130 WeakPolarHBondContact CB-O 3.01Å; S111-G130 PolarHBondContact OG-O 3.23Å
131	Q	75.6	Confident	77.4	Confident	92 Å²	92	40.8 Å²	40.8	43%	0.43	25%	0.248	S	C	.	.			trans	-79.4	-27	-171	-60.6	-175.9	2.9	0	0	116.3	I129	I129-Q131 PolarHBondContact O-N 3.47Å
132	F	78.2	Confident	78.8	Confident	73 Å²	73	32.2 Å²	32.2	32%	0.32	21%	0.208	S	C	.	.	S	Bend	trans	-76.7	-32.4	-171.4	-61.8	-71.5	0	0	0	115.3	A109 V134 R393	A109-F132 WeakPolarHBondContact CA-O 3.39Å; F132-V134 HydrophobicContact CB-CG2 4Å; F132-R393 HydrophobicContact CE2-CG 4.06Å
133	G	82.1	Confident	80.7	Confident	19 Å²	19	28.5 Å²	28.5	20%	0.196	18%	0.177	C	C	.	.	S	Bend	trans	74.1	27.5	-175.2	0	0	0	0	0	114.9	A109 K110	A109-G133 PolarHBondContact N-O 2.78Å; A109-G133 VanDerWaalsContact N-O 3.11Å; K110-G133 WeakPolarHBondContact O-CA 3.36Å
134	V	85.7	Confident	82.5	Confident	8 Å²	8	28.8 Å²	28.8	5%	0.048	16%	0.159	C	C	.	.			trans	-125.5	-13.7	175.2	-60.7	0	0	0	0	114.1	I31 I108 F132 F136 Y137 I391	I31-V134 HydrophobicContact CD1-CG1 4.25Å; I108-V134 HydrophobicContact CG2-CG1 4.31Å; F132-V134 HydrophobicContact CB-CG2 4Å; V134-F136 VanDerWaalsContact C-N 3.32Å; V134-F136 PolarHBondContact O-N 3.01Å; V134-Y137 PolarHBondContact O-N 2.94Å; V134-I391 HydrophobicContact CG2-CG1 4.2Å
135	G	87.5	Confident	84.2	Confident	8 Å²	8	31.3 Å²	31.3	8%	0.082	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-60.9	-35.4	-173.3	0	0	0	0	0	114	E45 Y137 S138	E45-G135 WeakPolarHBondContact CB-O 3.49Å; E45-G135 WeakPolarHBondContact OE2-CA 3.47Å; G135-Y137 VanDerWaalsContact C-N 3.3Å; G135-Y137 PolarHBondContact O-N 2.65Å; G135-S138 VanDerWaalsContact O-CB 3.29Å; G135-S138 WeakPolarHBondContact O-CB 3.35Å; G135-S138 PolarHBondContact O-N 3.39Å; G135-S138 PolarHBondContact O-OG 3.13Å
136	F	92.8	Very high	85.8	Confident	22 Å²	22	23.3 Å²	23.3	10%	0.096	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-58	-40.3	177.8	171.2	-105.2	0	0	0	112.9	L46 L105 V134 S138 A139 V146 V148 W160	L46-F136 HydrophobicContact CD2-CD2 4.22Å; L105-F136 HydrophobicContact CD1-CB 4.18Å; L105-F136 HydrophobicContact CD1-CD1 3.33Å; L105-F136 HydrophobicContact CD1-CD2 3.7Å; L105-F136 HydrophobicContact CD1-CE1 3.49Å; L105-F136 VanDerWaalsContact CD1-CE1 3.49Å; L105-F136 HydrophobicContact CD1-CE2 3.85Å; L105-F136 HydrophobicContact CD1-CG 3.44Å; L105-F136 VanDerWaalsContact CD1-CG 3.44Å; L105-F136 HydrophobicContact CD1-CZ 3.75Å; L105-F136 HydrophobicContact CD2-CE1 4.15Å; L105-F136 HydrophobicContact CD2-CZ 4Å; L105-F136 HydrophobicContact CG-CD1 4.02Å; L105-F136 HydrophobicContact CG-CE1 3.76Å; L105-F136 HydrophobicContact CG-CZ 4.09Å; V134-F136 VanDerWaalsContact C-N 3.32Å; V134-F136 PolarHBondContact O-N 3.01Å; F136-S138 PolarHBondContact O-N 3.09Å; F136-S138 VanDerWaalsContact O-N 3.13Å; F136-A139 VanDerWaalsContact O-CB 3.26Å; F136-A139 WeakPolarHBondContact O-CB 3.26Å; F136-A139 PolarHBondContact O-N 3.26Å; F136-A139 VanDerWaalsContact O-N 3.08Å; F136-V146 HydrophobicContact CE2-CG1 4.2Å; F136-V146 HydrophobicContact CZ-CG1 3.93Å; F136-V148 HydrophobicContact CE2-CG2 3.78Å; F136-V148 HydrophobicContact CZ-CG2 3.74Å; F136-W160 AromaticContact CE1-CH2 3.77Å; F136-W160 HydrophobicContact CE1-CH2 3.77Å; F136-W160 HydrophobicContact CE1-CZ2 4.46Å; F136-W160 HydrophobicContact CE1-CZ3 4.06Å; F136-W160 HydrophobicContact CZ-CH2 4.03Å; F136-W160 AromaticContact CZ-CZ3 3.82Å; F136-W160 HydrophobicContact CZ-CZ3 3.82Å
137	Y	91.8	Very high	87.2	Confident	14 Å²	14	22.5 Å²	22.5	6%	0.055	11%	0.114	C	C	.	.	G	3₁₀ helix	trans	-69.2	-12.9	-176.7	-55.6	-63.2	0	0	0	113.4	M28 L105 I108 V134 G135 A139 Y140	M28-Y137 HydrophobicContact CE-CD1 3.53Å; M28-Y137 HydrophobicContact CE-CE1 4.17Å; M28-Y137 HydrophobicContact CE-CG 3.91Å; M28-Y137 HydrophobicContact SD-CD1 3.84Å; M28-Y137 HydrophobicContact SD-CD2 4.39Å; M28-Y137 HydrophobicContact SD-CE1 4.08Å; M28-Y137 HydrophobicContact SD-CG 4Å; L105-Y137 PolarHBondContact O-OH 3.17Å; I108-Y137 HydrophobicContact CB-CE2 4.36Å; I108-Y137 HydrophobicContact CG1-CE2 3.84Å; V134-Y137 PolarHBondContact O-N 2.94Å; G135-Y137 VanDerWaalsContact C-N 3.3Å; G135-Y137 PolarHBondContact O-N 2.65Å; Y137-A139 PolarHBondContact O-N 2.56Å; Y137-Y140 HydrophobicContact CD1-CE2 4.39Å; Y137-Y140 PolarHBondContact O-N 3.24Å; Y137-Y140 VanDerWaalsContact O-N 3.15Å
138	S	91.5	Very high	88.7	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-61.4	-19.7	170	70.9	0	0	0	0	113.1	G135 F136 Y140 L141	G135-S138 VanDerWaalsContact O-CB 3.29Å; G135-S138 WeakPolarHBondContact O-CB 3.35Å; G135-S138 PolarHBondContact O-N 3.39Å; G135-S138 PolarHBondContact O-OG 3.13Å; F136-S138 PolarHBondContact O-N 3.09Å; F136-S138 VanDerWaalsContact O-N 3.13Å; S138-Y140 PolarHBondContact O-N 3.19Å; S138-L141 WeakPolarHBondContact O-CB 3.38Å; S138-L141 WeakPolarHBondContact O-CD1 2.93Å; S138-L141 VanDerWaalsContact O-CG 3.27Å; S138-L141 WeakPolarHBondContact O-CG 3.35Å; S138-L141 PolarHBondContact O-N 3.17Å
139	A	94.9	Very high	89.7	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-54	-34.1	172.1	0	0	0	0	0	112.7	F136 Y137 L141 V142 A143 V146 L186	F136-A139 VanDerWaalsContact O-CB 3.26Å; F136-A139 WeakPolarHBondContact O-CB 3.26Å; F136-A139 PolarHBondContact O-N 3.26Å; F136-A139 VanDerWaalsContact O-N 3.08Å; Y137-A139 PolarHBondContact O-N 2.56Å; A139-L141 PolarHBondContact O-N 3.06Å; A139-V142 WeakPolarHBondContact O-CG2 3.37Å; A139-V142 PolarHBondContact O-N 2.88Å; A139-A143 WeakPolarHBondContact O-CB 3.41Å; A139-A143 PolarHBondContact O-N 3.31Å; A139-V146 HydrophobicContact CB-CG2 3.97Å; A139-L186 HydrophobicContact CB-CD2 3.77Å
140	Y	94.6	Very high	90.8	Very high	6 Å²	6	21.5 Å²	21.5	2%	0.024	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-75	-3.9	178.7	-65.1	-75.2	0	0	0	114.2	M28 I32 Y137 S138 A143 V146 W160 S162 A164 K189	M28-Y140 HydrophobicContact CE-CD2 4.38Å; I32-Y140 HydrophobicContact CD1-CD2 4.5Å; I32-Y140 HydrophobicContact CD1-CG 4.21Å; Y137-Y140 HydrophobicContact CD1-CE2 4.39Å; Y137-Y140 PolarHBondContact O-N 3.24Å; Y137-Y140 VanDerWaalsContact O-N 3.15Å; S138-Y140 PolarHBondContact O-N 3.19Å; Y140-A143 WeakPolarHBondContact CA-O 3.29Å; Y140-V146 HydrophobicContact CD1-CG2 4.08Å; Y140-V146 HydrophobicContact CE1-CB 4.14Å; Y140-V146 HydrophobicContact CE1-CG2 3.66Å; Y140-V146 HydrophobicContact CE2-CG2 4.28Å; Y140-W160 WeakPolarHBondContact OH-CH2 3.32Å; Y140-S162 WeakPolarHBondContact CE1-O 3.43Å; Y140-S162 VanDerWaalsContact OH-C 3.31Å; Y140-S162 VanDerWaalsContact OH-CB 3.3Å; Y140-S162 WeakPolarHBondContact OH-CB 3.39Å; Y140-S162 PolarHBondContact OH-O 2.87Å; Y140-A164 HydrophobicContact CD1-CB 3.65Å; Y140-A164 HydrophobicContact CD2-CB 3.92Å; Y140-A164 HydrophobicContact CE1-CB 3.75Å; Y140-A164 HydrophobicContact CE2-CB 4.02Å; Y140-A164 HydrophobicContact CG-CB 3.73Å; Y140-K189 PolarHBondContact O-NZ 3.4Å
141	L	93	Very high	92	Very high	13 Å²	13	23.7 Å²	23.7	7%	0.068	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-59.6	-42.3	165.9	-73.2	166.8	0	0	0	110.3	I32 Y36 I41 S138 A139 K189	I32-L141 HydrophobicContact CG2-CD2 4.27Å; I32-L141 WeakPolarHBondContact O-CD2 3.31Å; Y36-L141 HydrophobicContact CD2-CD1 4Å; Y36-L141 HydrophobicContact CG-CD1 4.12Å; I41-L141 HydrophobicContact CD1-CD1 3.66Å; I41-L141 HydrophobicContact CG1-CD1 4.03Å; S138-L141 WeakPolarHBondContact O-CB 3.38Å; S138-L141 WeakPolarHBondContact O-CD1 2.93Å; S138-L141 VanDerWaalsContact O-CG 3.27Å; S138-L141 WeakPolarHBondContact O-CG 3.35Å; S138-L141 PolarHBondContact O-N 3.17Å; A139-L141 PolarHBondContact O-N 3.06Å; L141-K189 PolarHBondContact O-NZ 3.02Å
142	V	95.3	Very high	92.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-16.3	-171.9	-59.8	0	0	0	0	114.5	K39 F42 A139 L186 M188 K189 Q192 F195	K39-V142 HydrophobicContact CB-CG1 4.12Å; F42-V142 HydrophobicContact CB-CG2 4.27Å; F42-V142 HydrophobicContact CD1-CB 4.25Å; F42-V142 HydrophobicContact CD1-CG1 3.63Å; F42-V142 HydrophobicContact CD1-CG2 3.61Å; F42-V142 HydrophobicContact CD2-CG2 3.71Å; F42-V142 HydrophobicContact CE1-CB 4.37Å; F42-V142 HydrophobicContact CE1-CG1 3.89Å; F42-V142 HydrophobicContact CE1-CG2 3.81Å; F42-V142 HydrophobicContact CE2-CG2 3.92Å; F42-V142 HydrophobicContact CG-CG1 4.32Å; F42-V142 HydrophobicContact CG-CG2 3.56Å; F42-V142 HydrophobicContact CZ-CG2 3.98Å; A139-V142 WeakPolarHBondContact O-CG2 3.37Å; A139-V142 PolarHBondContact O-N 2.88Å; V142-L186 HydrophobicContact CG2-CD1 4.5Å; V142-M188 HydrophobicContact CB-CE 4.01Å; V142-M188 HydrophobicContact CG2-CE 4.03Å; V142-K189 WeakPolarHBondContact O-CG 3.23Å; V142-K189 PolarHBondContact O-N 3.06Å; V142-Q192 HydrophobicContact CB-CB 4.16Å; V142-Q192 HydrophobicContact CB-CG 4.28Å; V142-Q192 HydrophobicContact CG1-CG 4.39Å; V142-F195 HydrophobicContact CG1-CD2 4.04Å; V142-F195 HydrophobicContact CG1-CE2 3.8Å
143	A	96.5	Very high	93.3	Very high	2 Å²	2	19.2 Å²	19.2	2%	0.017	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.2	-178.6	0	0	0	0	0	112.4	A139 Y140 V146 L186 Y187	A139-A143 WeakPolarHBondContact O-CB 3.41Å; A139-A143 PolarHBondContact O-N 3.31Å; Y140-A143 WeakPolarHBondContact CA-O 3.29Å; A143-V146 HydrophobicContact CB-CG2 4.05Å; A143-L186 HydrophobicContact CB-CB 4.01Å; A143-L186 HydrophobicContact CB-CD2 4.35Å; A143-Y187 CarbonylContact C-O 3.54Å; A143-Y187 WeakPolarHBondContact CA-O 3.34Å; A143-Y187 WeakPolarHBondContact CB-O 3.21Å
144	D	94.9	Very high	93.6	Very high	93 Å²	93	23.5 Å²	23.5	50%	0.497	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-29.5	171	-72.7	-46.5	0	0	0	111.9	S163 Y187 K189	D144-S163 WeakPolarHBondContact O-CA 3.47Å; D144-Y187 PolarHBondContact N-O 3.42Å; D144-K189 WeakPolarHBondContact OD1-CG 3.41Å
145	R	96.3	Very high	93.9	Very high	85 Å²	85	25.2 Å²	25.2	32%	0.321	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.2	-179.6	-176.9	175.8	64.6	133.2	-2.8	109.4	E161 Y187	R145-E161 WeakPolarHBondContact CD-OE1 3.49Å; R145-E161 IonicContact CZ-OE1 3.94Å; R145-E161 IonicContact NE-OE1 3.1Å; R145-E161 IonicContact NH1-OE1 2.82Å; R145-E161 PolarHBondContact NH1-OE1 3.19Å; R145-Y187 HydrophobicContact CB-CD2 4.05Å; R145-Y187 HydrophobicContact CB-CG 4.31Å; R145-Y187 HydrophobicContact CG-CD2 4.12Å; R145-Y187 WeakPolarHBondContact O-CB 3.12Å; R145-Y187 WeakPolarHBondContact O-CD2 3.43Å; R145-Y187 PolarHBondContact O-N 3.43Å
146	V	97.5	Very high	94.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	132.7	176.2	-179.3	0	0	0	0	108.7	F136 A139 Y140 A143 V148 W160 S162 V184 T185 L186	F136-V146 HydrophobicContact CE2-CG1 4.2Å; F136-V146 HydrophobicContact CZ-CG1 3.93Å; A139-V146 HydrophobicContact CB-CG2 3.97Å; Y140-V146 HydrophobicContact CD1-CG2 4.08Å; Y140-V146 HydrophobicContact CE1-CB 4.14Å; Y140-V146 HydrophobicContact CE1-CG2 3.66Å; Y140-V146 HydrophobicContact CE2-CG2 4.28Å; A143-V146 HydrophobicContact CB-CG2 4.05Å; V146-V148 HydrophobicContact CG1-CG2 4.07Å; V146-W160 HydrophobicContact CB-CZ3 4.46Å; V146-W160 HydrophobicContact CG1-CZ3 4.46Å; V146-S162 PolarHBondContact N-O 2.95Å; V146-S162 PolarHBondContact O-N 3.12Å; V146-S162 VanDerWaalsContact O-N 3.09Å; V146-V184 HydrophobicContact CG1-CG1 3.99Å; V146-T185 WeakPolarHBondContact CA-O 3.46Å; V146-L186 HydrophobicContact CG1-CD2 4.06Å; V146-L186 HydrophobicContact CG2-CD2 3.83Å
147	T	97.4	Very high	94.3	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.043	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	142.2	167.5	59.7	0	0	0	0	110	W160 E161 V184 T185 Y187	T147-W160 CarbonylContact C-O 3.6Å; T147-W160 VanDerWaalsContact CA-O 3.29Å; T147-W160 WeakPolarHBondContact CA-O 3.37Å; T147-E161 HydrophobicContact CG2-CB 4.04Å; T147-E161 HydrophobicContact CG2-CG 3.79Å; T147-V184 CarbonylContact O-C 3.56Å; T147-V184 WeakPolarHBondContact O-CA 3.35Å; T147-T185 PolarHBondContact N-O 2.66Å; T147-T185 PolarHBondContact O-N 3.41Å; T147-T185 WeakPolarHBondContact OG1-CB 3.17Å; T147-Y187 HydrophobicContact CG2-CE2 3.74Å
148	V	97.5	Very high	94.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	102.9	-179	-178.3	0	0	0	0	107.8	M96 L101 L105 F136 V146 W160 T182 V184	M96-V148 HydrophobicContact CE-CG1 3.99Å; L101-V148 HydrophobicContact CD2-CG1 4.4Å; L105-V148 HydrophobicContact CD2-CB 4.19Å; L105-V148 HydrophobicContact CD2-CG1 4.24Å; L105-V148 HydrophobicContact CD2-CG2 4.01Å; F136-V148 HydrophobicContact CE2-CG2 3.78Å; F136-V148 HydrophobicContact CZ-CG2 3.74Å; V146-V148 HydrophobicContact CG1-CG2 4.07Å; V148-W160 HydrophobicContact CB-CB 4.24Å; V148-W160 HydrophobicContact CB-CE3 4.16Å; V148-W160 HydrophobicContact CG2-CE3 3.85Å; V148-W160 HydrophobicContact CG2-CZ3 4.26Å; V148-W160 PolarHBondContact N-O 2.84Å; V148-W160 PolarHBondContact O-N 3.18Å; V148-T182 HydrophobicContact CG1-CG2 3.41Å; V148-T182 VanDerWaalsContact CG1-CG2 3.41Å; V148-V184 HydrophobicContact CG1-CG2 4.4Å; V148-V184 HydrophobicContact CG2-CG1 4.4Å; V148-V184 HydrophobicContact CG2-CG2 4.3Å
149	A	97.1	Very high	94.7	Very high	4 Å²	4	31.8 Å²	31.8	3%	0.033	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	125.3	169.6	0	0	0	0	0	108.6	Y158 L159 F173 L178 T182 K183	A149-Y158 CarbonylContact C-O 3.58Å; A149-Y158 WeakPolarHBondContact CA-O 3.34Å; A149-L159 HydrophobicContact CB-CD1 3.89Å; A149-F173 HydrophobicContact CB-CD1 3.67Å; A149-F173 HydrophobicContact CB-CE1 3.51Å; A149-F173 HydrophobicContact CB-CZ 4.35Å; A149-L178 HydrophobicContact CB-CD2 3.98Å; A149-T182 CarbonylContact O-C 3.48Å; A149-T182 WeakPolarHBondContact O-CA 3.25Å; A149-T182 WeakPolarHBondContact O-CG2 3.49Å; A149-K183 HydrophobicContact CB-CB 4.26Å; A149-K183 PolarHBondContact N-O 2.71Å; A149-K183 PolarHBondContact O-N 2.98Å
150	S	96.6	Very high	94.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.2	-179.5	-160.4	0	0	0	0	111.5	G95 M96 A157 Y158 G181 T182	G95-S150 WeakPolarHBondContact CA-OG 3.48Å; M96-S150 PolarHBondContact N-OG 2.79Å; S150-A157 WeakPolarHBondContact O-CA 3.41Å; S150-Y158 PolarHBondContact N-O 3.19Å; S150-Y158 PolarHBondContact O-N 2.97Å; S150-G181 WeakPolarHBondContact CA-O 3.31Å; S150-G181 PolarHBondContact OG-O 3.41Å; S150-T182 PolarHBondContact OG-OG1 3.07Å
151	K	94.8	Very high	95	Very high	51 Å²	51	33.3 Å²	33.3	22%	0.222	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	107.6	175.7	177.5	66.1	176.6	88.2	0	108.9	D155 A157 L178 V179 G181	K151-D155 WeakPolarHBondContact CE-O 3.27Å; K151-D155 PolarHBondContact NZ-O 3.49Å; K151-A157 HydrophobicContact CB-CB 4.21Å; K151-A157 HydrophobicContact CD-CB 3.92Å; K151-L178 HydrophobicContact CB-CD2 4.3Å; K151-L178 HydrophobicContact CB-CG 4.19Å; K151-V179 WeakPolarHBondContact CG-O 3.46Å; K151-G181 PolarHBondContact N-O 3.49Å; K151-G181 PolarHBondContact O-N 2.95Å
152	H	93	Very high	95	Very high	23 Å²	23	33.3 Å²	33.3	11%	0.106	17%	0.169	C	C	.	.			trans	-84.4	152.5	168.8	-166.8	-98.3	0	0	0	110.2	C94 T97 D154 D155	C94-H152 WeakPolarHBondContact O-CA 3.4Å; C94-H152 PolarHBondContact O-CD2 2.7Å; T97-H152 HydrophobicContact CG2-CB 3.99Å; H152-D154 IonicContact CE1-OD2 2.7Å; H152-D154 PolarHBondContact CE1-OD2 2.9Å; H152-D154 VanDerWaalsContact CE1-OD2 3.23Å; H152-D154 WeakPolarHBondContact ND1-CB 3.49Å; H152-D154 PolarHBondContact ND1-N 3.36Å; H152-D154 VanDerWaalsContact ND1-N 3.11Å; H152-D154 IonicContact ND1-OD2 3.02Å; H152-D154 PolarHBondContact O-N 2.92Å; H152-D155 HydrophobicContact CB-CB 4.49Å; H152-D155 PolarHBondContact O-N 3.4Å
153	C	88	Confident	94.9	Very high	47 Å²	47	37 Å²	37	32%	0.318	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-34.5	176.4	-68.1	0	0	0	0	112.1	K67 R180	K67-C153 HydrophobicContact CD-CB 4.31Å; C153-R180 VanDerWaalsContact SG-CD 3.56Å
154	D	89.3	Confident	94.5	Very high	109 Å²	109	38 Å²	38	58%	0.583	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.4	9.5	-172.6	-51.6	-32.7	0	0	0	114.5	K67 H152	K67-D154 VanDerWaalsContact NZ-CG 3.32Å; K67-D154 IonicContact NZ-OD1 2.68Å; K67-D154 PolarHBondContact NZ-OD1 3.35Å; K67-D154 IonicContact NZ-OD2 2.93Å; K67-D154 PolarHBondContact NZ-OD2 2.86Å; H152-D154 IonicContact CE1-OD2 2.7Å; H152-D154 PolarHBondContact CE1-OD2 2.9Å; H152-D154 VanDerWaalsContact CE1-OD2 3.23Å; H152-D154 WeakPolarHBondContact ND1-CB 3.49Å; H152-D154 PolarHBondContact ND1-N 3.36Å; H152-D154 VanDerWaalsContact ND1-N 3.11Å; H152-D154 IonicContact ND1-OD2 3.02Å; H152-D154 PolarHBondContact O-N 2.92Å
155	D	92.4	Very high	93.9	Very high	45 Å²	45	36.6 Å²	36.6	24%	0.241	21%	0.21	C	C	.	.	S	Bend	trans	-148.1	169.4	179.8	-156.9	-9	0	0	0	111.6	T97 K98 K151 H152 Y158	T97-D155 WeakPolarHBondContact CA-OD2 3.46Å; T97-D155 WeakPolarHBondContact CB-OD2 3.23Å; T97-D155 HydrophobicContact CG2-CB 3.97Å; K98-D155 PolarHBondContact N-OD2 3.47Å; K151-D155 WeakPolarHBondContact CE-O 3.27Å; K151-D155 PolarHBondContact NZ-O 3.49Å; H152-D155 HydrophobicContact CB-CB 4.49Å; H152-D155 PolarHBondContact O-N 3.4Å; D155-Y158 HydrophobicContact CB-CE2 4.45Å; D155-Y158 VanDerWaalsContact CG-CE2 3.49Å; D155-Y158 VanDerWaalsContact OD1-CE2 3.3Å; D155-Y158 WeakPolarHBondContact OD1-CE2 3.41Å; D155-Y158 PolarHBondContact OD1-OH 3.07Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.38Å
156	E	92.4	Very high	93.4	Very high	127 Å²	127	34.8 Å²	34.8	59%	0.593	22%	0.219	S	C	*	.			trans	-69	170.5	172.5	-65.7	-174.6	174.6	0	0	111.9	Y158	E156-Y158 HydrophobicContact CB-CE2 3.98Å; E156-Y158 WeakPolarHBondContact O-CD2 3.27Å; E156-Y158 WeakPolarHBondContact O-CE2 3.41Å
157	A	94.5	Very high	93	Very high	17 Å²	17	39 Å²	39	14%	0.14	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	133.3	171.9	0	0	0	0	0	110.7	S150 K151 F173	S150-A157 WeakPolarHBondContact O-CA 3.41Å; K151-A157 HydrophobicContact CB-CB 4.21Å; K151-A157 HydrophobicContact CD-CB 3.92Å; A157-F173 WeakPolarHBondContact CB-O 3.35Å; A157-F173 PolarHBondContact O-N 3.19Å
158	Y	96.7	Very high	92.9	Very high	24 Å²	24	42.2 Å²	42.2	9%	0.094	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	148.9	177.5	-60.3	-87.8	0	0	0	111.3	K98 A149 S150 D155 E156 I170 R171	K98-Y158 HydrophobicContact CB-CD1 4.45Å; K98-Y158 HydrophobicContact CB-CD2 4.03Å; K98-Y158 HydrophobicContact CB-CE1 4.15Å; K98-Y158 HydrophobicContact CB-CE2 3.72Å; K98-Y158 HydrophobicContact CB-CG 4.38Å; K98-Y158 HydrophobicContact CD-CD1 4.35Å; K98-Y158 HydrophobicContact CD-CE1 3.76Å; K98-Y158 HydrophobicContact CG-CD1 4.35Å; K98-Y158 HydrophobicContact CG-CE1 4.15Å; A149-Y158 CarbonylContact C-O 3.58Å; A149-Y158 WeakPolarHBondContact CA-O 3.34Å; S150-Y158 PolarHBondContact N-O 3.19Å; S150-Y158 PolarHBondContact O-N 2.97Å; D155-Y158 HydrophobicContact CB-CE2 4.45Å; D155-Y158 VanDerWaalsContact CG-CE2 3.49Å; D155-Y158 VanDerWaalsContact OD1-CE2 3.3Å; D155-Y158 WeakPolarHBondContact OD1-CE2 3.41Å; D155-Y158 PolarHBondContact OD1-OH 3.07Å; D155-Y158 WeakPolarHBondContact OD2-CE2 3.38Å; E156-Y158 HydrophobicContact CB-CE2 3.98Å; E156-Y158 WeakPolarHBondContact O-CD2 3.27Å; E156-Y158 WeakPolarHBondContact O-CE2 3.41Å; Y158-I170 HydrophobicContact CD1-CG2 4.07Å; Y158-I170 HydrophobicContact CG-CG2 4.32Å; Y158-R171 CarbonylContact C-O 3.6Å; Y158-R171 WeakPolarHBondContact CA-O 3.39Å
159	L	96.8	Very high	92.8	Very high	14 Å²	14	45.8 Å²	45.8	7%	0.073	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.5	171.6	-176.7	67.7	0	0	0	109.4	A149 I170 R171 F173	A149-L159 HydrophobicContact CB-CD1 3.89Å; L159-I170 WeakPolarHBondContact O-CA 3.26Å; L159-R171 HydrophobicContact CB-CG 4.12Å; L159-R171 VanDerWaalsContact CD2-CZ 3.47Å; L159-R171 PolarHBondContact N-O 3.43Å; L159-R171 PolarHBondContact O-N 2.95Å; L159-F173 HydrophobicContact CB-CB 3.71Å; L159-F173 HydrophobicContact CB-CD2 3.99Å; L159-F173 HydrophobicContact CB-CG 3.88Å; L159-F173 HydrophobicContact CD2-CD2 3.93Å; L159-F173 HydrophobicContact CD2-CE2 4.2Å; L159-F173 HydrophobicContact CG-CD2 4.44Å
160	W	97.2	Very high	92.7	Very high	4 Å²	4	47.7 Å²	47.7	2%	0.015	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	139.3	169.2	178.8	104.8	0	0	0	109.8	L101 L105 F136 Y140 V146 T147 V148 F168 T169 I170	L101-W160 HydrophobicContact CD1-CB 4.43Å; L101-W160 HydrophobicContact CD2-CB 4.15Å; L105-W160 HydrophobicContact CD2-CD2 3.67Å; L105-W160 HydrophobicContact CD2-CE3 3.98Å; L105-W160 HydrophobicContact CD2-CG 3.95Å; L105-W160 HydrophobicContact CD2-CZ2 4.3Å; L105-W160 HydrophobicContact CD2-CZ3 4.41Å; L105-W160 HydrophobicContact CG-CZ2 4.44Å; F136-W160 AromaticContact CE1-CH2 3.77Å; F136-W160 HydrophobicContact CE1-CH2 3.77Å; F136-W160 HydrophobicContact CE1-CZ2 4.46Å; F136-W160 HydrophobicContact CE1-CZ3 4.06Å; F136-W160 HydrophobicContact CZ-CH2 4.03Å; F136-W160 AromaticContact CZ-CZ3 3.82Å; F136-W160 HydrophobicContact CZ-CZ3 3.82Å; Y140-W160 WeakPolarHBondContact OH-CH2 3.32Å; V146-W160 HydrophobicContact CB-CZ3 4.46Å; V146-W160 HydrophobicContact CG1-CZ3 4.46Å; T147-W160 CarbonylContact C-O 3.6Å; T147-W160 VanDerWaalsContact CA-O 3.29Å; T147-W160 WeakPolarHBondContact CA-O 3.37Å; V148-W160 HydrophobicContact CB-CB 4.24Å; V148-W160 HydrophobicContact CB-CE3 4.16Å; V148-W160 HydrophobicContact CG2-CE3 3.85Å; V148-W160 HydrophobicContact CG2-CZ3 4.26Å; V148-W160 PolarHBondContact N-O 2.84Å; V148-W160 PolarHBondContact O-N 3.18Å; W160-F168 AromaticContact CD1-CD2 3.49Å; W160-F168 VanDerWaalsContact CD1-CD2 3.49Å; W160-F168 HydrophobicContact CD2-CB 4.43Å; W160-F168 AromaticContact CE2-CD2 4Å; W160-F168 AromaticContact CE2-CG 3.76Å; W160-F168 HydrophobicContact CZ2-CB 3.58Å; W160-F168 HydrophobicContact CZ2-CD1 4.39Å; W160-F168 HydrophobicContact CZ2-CG 4.01Å; W160-F168 AromaticContact NE1-CD1 3.94Å; W160-F168 AromaticContact NE1-CD2 3.03Å; W160-F168 AromaticContact NE1-CE2 3.65Å; W160-F168 AromaticContact NE1-CG 3.2Å; W160-T169 CarbonylContact C-O 3.52Å; W160-T169 VanDerWaalsContact CA-O 3.28Å; W160-T169 WeakPolarHBondContact CA-O 3.24Å; W160-I170 HydrophobicContact CB-CG1 4.3Å; W160-I170 HydrophobicContact CG-CG1 4.35Å
161	E	96.8	Very high	92.7	Very high	34 Å²	34	52.8 Å²	52.8	16%	0.159	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	131.6	-177.6	178.4	171.5	-179	0	0	111.8	R145 T147 F168 T169 R171	R145-E161 WeakPolarHBondContact CD-OE1 3.49Å; R145-E161 IonicContact CZ-OE1 3.94Å; R145-E161 IonicContact NE-OE1 3.1Å; R145-E161 IonicContact NH1-OE1 2.82Å; R145-E161 PolarHBondContact NH1-OE1 3.19Å; T147-E161 HydrophobicContact CG2-CB 4.04Å; T147-E161 HydrophobicContact CG2-CG 3.79Å; E161-F168 CarbonylContact O-C 3.58Å; E161-F168 WeakPolarHBondContact O-CA 3.24Å; E161-T169 PolarHBondContact N-O 3.01Å; E161-T169 PolarHBondContact O-N 3.48Å; E161-R171 IonicContact OE2-CZ 3.33Å; E161-R171 VanDerWaalsContact OE2-CZ 3.31Å; E161-R171 IonicContact OE2-NH1 2.68Å; E161-R171 PolarHBondContact OE2-NH1 3.11Å; E161-R171 IonicContact OE2-NH2 3.42Å; E161-R171 PolarHBondContact OE2-NH2 2.69Å
162	S	95	Very high	92.7	Very high	13 Å²	13	54.9 Å²	54.9	9%	0.091	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	149.9	174.7	-176.6	0	0	0	0	113.2	Y140 V146 A164 S167	Y140-S162 WeakPolarHBondContact CE1-O 3.43Å; Y140-S162 VanDerWaalsContact OH-C 3.31Å; Y140-S162 VanDerWaalsContact OH-CB 3.3Å; Y140-S162 WeakPolarHBondContact OH-CB 3.39Å; Y140-S162 PolarHBondContact OH-O 2.87Å; V146-S162 PolarHBondContact N-O 2.95Å; V146-S162 PolarHBondContact O-N 3.12Å; V146-S162 VanDerWaalsContact O-N 3.09Å; S162-A164 PolarHBondContact OG-N 3.42Å; S162-A164 VanDerWaalsContact OG-N 3.15Å; S162-S167 PolarHBondContact OG-O 3.33Å
163	S	92.9	Very high	92.5	Very high	78 Å²	78	57 Å²	57	55%	0.545	34%	0.339	S	S	.	.			trans	-107.6	21.7	172.1	55.1	0	0	0	0	113.1	D144 G165	D144-S163 WeakPolarHBondContact O-CA 3.47Å; S163-G165 PolarHBondContact O-N 3.32Å
164	A	88.2	Confident	92.3	Very high	22 Å²	22	59.9 Å²	59.9	18%	0.182	36%	0.36	C	S	.	.	S	Bend	trans	58	13.2	-174.4	0	0	0	0	0	115.5	M28 I32 Y140 S162 G166	M28-A164 HydrophobicContact CE-CB 3.94Å; I32-A164 HydrophobicContact CD1-CB 4.07Å; Y140-A164 HydrophobicContact CD1-CB 3.65Å; Y140-A164 HydrophobicContact CD2-CB 3.92Å; Y140-A164 HydrophobicContact CE1-CB 3.75Å; Y140-A164 HydrophobicContact CE2-CB 4.02Å; Y140-A164 HydrophobicContact CG-CB 3.73Å; S162-A164 PolarHBondContact OG-N 3.42Å; S162-A164 VanDerWaalsContact OG-N 3.15Å; A164-G166 PolarHBondContact O-N 3.04Å
165	G	82.1	Confident	92.1	Very high	63 Å²	63	56.1 Å²	56.1	65%	0.649	34%	0.34	S	S	*	.	S	Bend	trans	-77.8	26.6	178	0	0	0	0	0	115.3	S163	S163-G165 PolarHBondContact O-N 3.32Å
166	G	84.3	Confident	91.5	Very high	48 Å²	48	59.8 Å²	59.8	50%	0.495	37%	0.366	S	S	.	.	S	Bend	trans	85.2	0.1	179.6	0	0	0	0	0	116.3	A164	A164-G166 PolarHBondContact O-N 3.04Å
167	S	90.5	Very high	91	Very high	88 Å²	88	61.5 Å²	61.5	62%	0.615	38%	0.375	S	S	*	.			trans	-144.3	165	175.1	63.1	0	0	0	0	112.4	S162	S162-S167 PolarHBondContact OG-O 3.33Å
168	F	94.4	Very high	90.7	Very high	74 Å²	74	61.5 Å²	61.5	33%	0.325	37%	0.372	S	S	.	.			trans	-142.5	160	175.1	62.4	-95.8	0	0	0	110.2	G106 W160 E161 I170	G106-F168 VanDerWaalsContact CA-CE1 3.4Å; W160-F168 AromaticContact CD1-CD2 3.49Å; W160-F168 VanDerWaalsContact CD1-CD2 3.49Å; W160-F168 HydrophobicContact CD2-CB 4.43Å; W160-F168 AromaticContact CE2-CD2 4Å; W160-F168 AromaticContact CE2-CG 3.76Å; W160-F168 HydrophobicContact CZ2-CB 3.58Å; W160-F168 HydrophobicContact CZ2-CD1 4.39Å; W160-F168 HydrophobicContact CZ2-CG 4.01Å; W160-F168 AromaticContact NE1-CD1 3.94Å; W160-F168 AromaticContact NE1-CD2 3.03Å; W160-F168 AromaticContact NE1-CE2 3.65Å; W160-F168 AromaticContact NE1-CG 3.2Å; E161-F168 CarbonylContact O-C 3.58Å; E161-F168 WeakPolarHBondContact O-CA 3.24Å; F168-I170 HydrophobicContact CD2-CD1 4.37Å; F168-I170 HydrophobicContact CD2-CG1 4.2Å; F168-I170 HydrophobicContact CE2-CD1 3.95Å; F168-I170 HydrophobicContact CE2-CG1 4.27Å
169	T	95.7	Very high	90.4	Very high	77 Å²	77	64 Å²	64	47%	0.472	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	151.9	177.2	64	0	0	0	0	110.6	W160 E161	W160-T169 CarbonylContact C-O 3.52Å; W160-T169 VanDerWaalsContact CA-O 3.28Å; W160-T169 WeakPolarHBondContact CA-O 3.24Å; E161-T169 PolarHBondContact N-O 3.01Å; E161-T169 PolarHBondContact O-N 3.48Å
170	I	95.7	Very high	90.3	Very high	43 Å²	43	63.8 Å²	63.8	22%	0.221	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.7	175	-61.8	174.1	0	0	0	108.3	K98 L101 I102 Y158 L159 W160 F168	K98-I170 HydrophobicContact CG-CG2 4.4Å; L101-I170 HydrophobicContact CB-CD1 3.83Å; I102-I170 HydrophobicContact CD1-CD1 4.24Å; I102-I170 HydrophobicContact CG1-CD1 3.41Å; I102-I170 VanDerWaalsContact CG1-CD1 3.41Å; Y158-I170 HydrophobicContact CD1-CG2 4.07Å; Y158-I170 HydrophobicContact CG-CG2 4.32Å; L159-I170 WeakPolarHBondContact O-CA 3.26Å; W160-I170 HydrophobicContact CB-CG1 4.3Å; W160-I170 HydrophobicContact CG-CG1 4.35Å; F168-I170 HydrophobicContact CD2-CD1 4.37Å; F168-I170 HydrophobicContact CD2-CG1 4.2Å; F168-I170 HydrophobicContact CE2-CD1 3.95Å; F168-I170 HydrophobicContact CE2-CG1 4.27Å
171	R	95.7	Very high	90.2	Very high	107 Å²	107	63.6 Å²	63.6	40%	0.404	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	153.9	175.1	60.3	-178.8	175.2	-90.2	4.8	111.6	Y158 L159 E161	Y158-R171 CarbonylContact C-O 3.6Å; Y158-R171 WeakPolarHBondContact CA-O 3.39Å; L159-R171 HydrophobicContact CB-CG 4.12Å; L159-R171 VanDerWaalsContact CD2-CZ 3.47Å; L159-R171 PolarHBondContact N-O 3.43Å; L159-R171 PolarHBondContact O-N 2.95Å; E161-R171 IonicContact OE2-CZ 3.33Å; E161-R171 VanDerWaalsContact OE2-CZ 3.31Å; E161-R171 IonicContact OE2-NH1 2.68Å; E161-R171 PolarHBondContact OE2-NH1 3.11Å; E161-R171 IonicContact OE2-NH2 3.42Å; E161-R171 PolarHBondContact OE2-NH2 2.69Å
172	P	94.2	Very high	90.2	Very high	96 Å²	96	62.4 Å²	62.4	62%	0.623	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	143.6	167.7	-22.5	33.7	0	0	0	110.6
173	F	89.6	Confident	90.3	Very high	66 Å²	66	64.2 Å²	64.2	29%	0.289	39%	0.388	S	S	.	.			trans	-139.9	145.5	-177.7	-175.5	-112.2	0	0	0	109.6	A149 A157 L159 D175	A149-F173 HydrophobicContact CB-CD1 3.67Å; A149-F173 HydrophobicContact CB-CE1 3.51Å; A149-F173 HydrophobicContact CB-CZ 4.35Å; A157-F173 WeakPolarHBondContact CB-O 3.35Å; A157-F173 PolarHBondContact O-N 3.19Å; L159-F173 HydrophobicContact CB-CB 3.71Å; L159-F173 HydrophobicContact CB-CD2 3.99Å; L159-F173 HydrophobicContact CB-CG 3.88Å; L159-F173 HydrophobicContact CD2-CD2 3.93Å; L159-F173 HydrophobicContact CD2-CE2 4.2Å; L159-F173 HydrophobicContact CG-CD2 4.44Å; F173-D175 HydrophobicContact CD1-CB 4.13Å; F173-D175 HydrophobicContact CE1-CB 3.34Å; F173-D175 HydrophobicContact CZ-CB 3.8Å
174	S	84.5	Confident	90.5	Very high	108 Å²	108	61 Å²	61	76%	0.755	37%	0.365	S	S	*	.			trans	-134.4	109	177.3	180	0	0	0	0	107.8
175	D	84	Confident	91	Very high	31 Å²	31	60.8 Å²	60.8	17%	0.166	36%	0.362	C	S	.	.			trans	-125.8	110.5	172.3	-175.8	-12.9	0	0	0	106.9	F173 E177 L178 K183	F173-D175 HydrophobicContact CD1-CB 4.13Å; F173-D175 HydrophobicContact CE1-CB 3.34Å; F173-D175 HydrophobicContact CZ-CB 3.8Å; D175-E177 PolarHBondContact O-N 3.38Å; D175-E177 VanDerWaalsContact O-N 3.09Å; D175-E177 WeakPolarHBondContact OD1-CB 3.4Å; D175-E177 PolarHBondContact OD1-N 2.9Å; D175-E177 VanDerWaalsContact OD1-N 3.07Å; D175-L178 HydrophobicContact CB-CB 4.22Å; D175-L178 PolarHBondContact O-N 2.86Å; D175-K183 IonicContact OD2-NZ 2.72Å; D175-K183 PolarHBondContact OD2-NZ 3.17Å
176	P	79.5	Confident	91.7	Very high	121 Å²	121	57.8 Å²	57.8	79%	0.786	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.9	-179.4	-24.6	34	0	0	0	113.8
177	E	83.2	Confident	92.4	Very high	164 Å²	164	59 Å²	59	77%	0.766	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-21.6	179.5	-60.2	-174.5	168.4	0	0	112.8	D175 V179	D175-E177 PolarHBondContact O-N 3.38Å; D175-E177 VanDerWaalsContact O-N 3.09Å; D175-E177 WeakPolarHBondContact OD1-CB 3.4Å; D175-E177 PolarHBondContact OD1-N 2.9Å; D175-E177 VanDerWaalsContact OD1-N 3.07Å; E177-V179 PolarHBondContact O-N 2.95Å
178	L	88.3	Confident	92.7	Very high	16 Å²	16	55.2 Å²	55.2	8%	0.084	29%	0.294	C	S	.	.			trans	-92.4	76.6	-178.1	-171.3	66.1	0	0	0	111.2	A149 K151 D175 K183	A149-L178 HydrophobicContact CB-CD2 3.98Å; K151-L178 HydrophobicContact CB-CD2 4.3Å; K151-L178 HydrophobicContact CB-CG 4.19Å; D175-L178 HydrophobicContact CB-CB 4.22Å; D175-L178 PolarHBondContact O-N 2.86Å; L178-K183 HydrophobicContact CD1-CB 4.47Å
179	V	89.9	Confident	92.8	Very high	77 Å²	77	53.9 Å²	53.9	47%	0.467	29%	0.288	S	S	.	.	S	Bend	trans	-68	-43.7	178.7	-178.1	0	0	0	0	111.9	D70 A71 K151 E177	D70-V179 HydrophobicContact CB-CG1 3.66Å; A71-V179 HydrophobicContact CB-CG1 4.34Å; K151-V179 WeakPolarHBondContact CG-O 3.46Å; E177-V179 PolarHBondContact O-N 2.95Å
180	R	94	Very high	92.7	Very high	10 Å²	10	57.3 Å²	57.3	4%	0.038	30%	0.298	C	S	.	.	S	Bend	trans	-154.6	149.7	176.8	-168.3	-170.2	62.1	-128.2	-8.4	109.4	K67 A71 T92 G93 C153	K67-R180 PolarHBondContact O-NH1 3.17Å; A71-R180 VanDerWaalsContact O-CZ 3.27Å; A71-R180 PolarHBondContact O-NH1 3.06Å; A71-R180 PolarHBondContact O-NH2 2.88Å; T92-R180 PolarHBondContact O-NE 3.15Å; T92-R180 PolarHBondContact O-NH2 3Å; G93-R180 WeakPolarHBondContact O-CD 3.4Å; G93-R180 VanDerWaalsContact O-CG 3.32Å; G93-R180 WeakPolarHBondContact O-CG 3.31Å; G93-R180 PolarHBondContact O-NE 2.82Å; C153-R180 VanDerWaalsContact SG-CD 3.56Å
181	G	95.4	Very high	92.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	104.5	-147.5	172.6	0	0	0	0	0	112	D91 G93 S150 K151	D91-G181 WeakPolarHBondContact O-CA 3.16Å; G93-G181 WeakPolarHBondContact O-CA 3.49Å; S150-G181 WeakPolarHBondContact CA-O 3.31Å; S150-G181 PolarHBondContact OG-O 3.41Å; K151-G181 PolarHBondContact N-O 3.49Å; K151-G181 PolarHBondContact O-N 2.95Å
182	T	96.9	Very high	92.7	Very high	8 Å²	8	55.9 Å²	55.9	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	140.9	-171.7	-52.6	0	0	0	0	112.3	V90 D91 M96 V148 A149 S150 V184	V90-T182 CarbonylContact C-O 3.52Å; V90-T182 WeakPolarHBondContact CA-O 3.45Å; D91-T182 PolarHBondContact N-O 2.9Å; D91-T182 PolarHBondContact O-N 3.08Å; D91-T182 PolarHBondContact OD1-N 3.5Å; D91-T182 WeakPolarHBondContact OD2-CB 3.17Å; M96-T182 HydrophobicContact CE-CG2 4.06Å; V148-T182 HydrophobicContact CG1-CG2 3.41Å; V148-T182 VanDerWaalsContact CG1-CG2 3.41Å; A149-T182 CarbonylContact O-C 3.48Å; A149-T182 WeakPolarHBondContact O-CA 3.25Å; A149-T182 WeakPolarHBondContact O-CG2 3.49Å; S150-T182 PolarHBondContact OG-OG1 3.07Å; T182-V184 HydrophobicContact CG2-CG2 4.04Å
183	K	96.9	Very high	92.7	Very high	51 Å²	51	54.3 Å²	54.3	22%	0.222	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	106.2	173.2	173	172.5	176	178.1	0	108.9	T88 I89 V90 A149 D175 L178	T88-K183 HydrophobicContact CG2-CD 4.25Å; T88-K183 HydrophobicContact CG2-CG 3.59Å; I89-K183 CarbonylContact O-C 3.52Å; I89-K183 WeakPolarHBondContact O-CA 3.35Å; V90-K183 HydrophobicContact CG2-CB 4.36Å; V90-K183 HydrophobicContact CG2-CD 4.46Å; V90-K183 HydrophobicContact CG2-CG 4.12Å; A149-K183 HydrophobicContact CB-CB 4.26Å; A149-K183 PolarHBondContact N-O 2.71Å; A149-K183 PolarHBondContact O-N 2.98Å; D175-K183 IonicContact OD2-NZ 2.72Å; D175-K183 PolarHBondContact OD2-NZ 3.17Å; L178-K183 HydrophobicContact CD1-CB 4.47Å
184	V	97.6	Very high	93	Very high	11 Å²	11	54 Å²	54	7%	0.067	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	116.3	176.8	-177.6	0	0	0	0	108.6	L46 T88 I89 V146 T147 V148 T182 L186	L46-V184 HydrophobicContact CD2-CG1 4.31Å; T88-V184 CarbonylContact C-O 3.5Å; T88-V184 VanDerWaalsContact CA-O 3.3Å; T88-V184 WeakPolarHBondContact CA-O 3.46Å; I89-V184 PolarHBondContact N-O 2.98Å; I89-V184 PolarHBondContact O-N 3.3Å; V146-V184 HydrophobicContact CG1-CG1 3.99Å; T147-V184 CarbonylContact O-C 3.56Å; T147-V184 WeakPolarHBondContact O-CA 3.35Å; V148-V184 HydrophobicContact CG1-CG2 4.4Å; V148-V184 HydrophobicContact CG2-CG1 4.4Å; V148-V184 HydrophobicContact CG2-CG2 4.3Å; T182-V184 HydrophobicContact CG2-CG2 4.04Å; V184-L186 HydrophobicContact CG1-CD2 3.96Å
185	T	97.8	Very high	93.5	Very high	17 Å²	17	49 Å²	49	10%	0.104	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	120.5	176.3	-47.7	0	0	0	0	109.8	T86 V146 T147 Y187	T86-T185 HydrophobicContact CG2-CG2 3.98Å; V146-T185 WeakPolarHBondContact CA-O 3.46Å; T147-T185 PolarHBondContact N-O 2.66Å; T147-T185 PolarHBondContact O-N 3.41Å; T147-T185 WeakPolarHBondContact OG1-CB 3.17Å; T185-Y187 HydrophobicContact CG2-CE2 4.16Å
186	L	98.2	Very high	94.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	118.7	177.7	-54.7	-177.4	0	0	0	108.8	F42 L46 T86 L87 I89 A139 V142 A143 V146 V184 M188	F42-L186 HydrophobicContact CD2-CD1 3.7Å; F42-L186 HydrophobicContact CE2-CD1 3.51Å; L46-L186 HydrophobicContact CD1-CD1 3.83Å; L46-L186 HydrophobicContact CD1-CD2 4.24Å; L46-L186 HydrophobicContact CD1-CG 4.43Å; T86-L186 CarbonylContact C-O 3.57Å; T86-L186 WeakPolarHBondContact CA-O 3.34Å; T86-L186 WeakPolarHBondContact CB-O 3.44Å; L87-L186 HydrophobicContact CB-CB 4.32Å; L87-L186 HydrophobicContact CB-CD1 4.5Å; L87-L186 HydrophobicContact CD2-CD1 4.39Å; L87-L186 PolarHBondContact N-O 3.39Å; L87-L186 WeakPolarHBondContact O-CB 2.99Å; L87-L186 PolarHBondContact O-N 2.85Å; I89-L186 HydrophobicContact CD1-CD1 3.97Å; I89-L186 HydrophobicContact CD1-CG 4.22Å; A139-L186 HydrophobicContact CB-CD2 3.77Å; V142-L186 HydrophobicContact CG2-CD1 4.5Å; A143-L186 HydrophobicContact CB-CB 4.01Å; A143-L186 HydrophobicContact CB-CD2 4.35Å; V146-L186 HydrophobicContact CG1-CD2 4.06Å; V146-L186 HydrophobicContact CG2-CD2 3.83Å; V184-L186 HydrophobicContact CG1-CD2 3.96Å; L186-M188 HydrophobicContact CB-SD 3.8Å; L186-M188 PolarHBondContact O-N 3.44Å
187	Y	98	Very high	94.8	Very high	73 Å²	73	46.1 Å²	46.1	29%	0.286	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	102.9	170.6	-64.9	-91	0	0	0	108	T86 A143 D144 R145 T147 T185	T86-Y187 HydrophobicContact CG2-CD1 3.46Å; T86-Y187 VanDerWaalsContact CG2-CD1 3.46Å; T86-Y187 HydrophobicContact CG2-CE1 3.57Å; T86-Y187 HydrophobicContact CG2-CG 4.11Å; A143-Y187 CarbonylContact C-O 3.54Å; A143-Y187 WeakPolarHBondContact CA-O 3.34Å; A143-Y187 WeakPolarHBondContact CB-O 3.21Å; D144-Y187 PolarHBondContact N-O 3.42Å; R145-Y187 HydrophobicContact CB-CD2 4.05Å; R145-Y187 HydrophobicContact CB-CG 4.31Å; R145-Y187 HydrophobicContact CG-CD2 4.12Å; R145-Y187 WeakPolarHBondContact O-CB 3.12Å; R145-Y187 WeakPolarHBondContact O-CD2 3.43Å; R145-Y187 PolarHBondContact O-N 3.43Å; T147-Y187 HydrophobicContact CG2-CE2 3.74Å; T185-Y187 HydrophobicContact CG2-CE2 4.16Å
188	M	97.3	Very high	95.3	Very high	9 Å²	9	42 Å²	42	4%	0.044	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	142	-165.7	-55.5	-57.9	-67.4	0	0	111.6	R85 L87 V142 L186 Q192 L193 F195 L196	R85-M188 WeakPolarHBondContact O-CB 3.4Å; R85-M188 WeakPolarHBondContact O-CG 3.45Å; R85-M188 PolarHBondContact O-N 2.98Å; L87-M188 HydrophobicContact CB-SD 3.83Å; V142-M188 HydrophobicContact CB-CE 4.01Å; V142-M188 HydrophobicContact CG2-CE 4.03Å; L186-M188 HydrophobicContact CB-SD 3.8Å; L186-M188 PolarHBondContact O-N 3.44Å; M188-Q192 HydrophobicContact CE-CB 4.35Å; M188-Q192 WeakPolarHBondContact CE-O 3.31Å; M188-L193 HydrophobicContact CB-CD2 4.11Å; M188-F195 HydrophobicContact CE-CB 3.78Å; M188-F195 HydrophobicContact CE-CD2 4.5Å; M188-L196 HydrophobicContact CG-CD1 4.27Å; M188-L196 HydrophobicContact CG-CD2 3.91Å; M188-L196 HydrophobicContact CG-CG 4.19Å
189	K	96.2	Very high	95.6	Very high	46 Å²	46	48.3 Å²	48.3	20%	0.2	23%	0.229	C	C	.	.			trans	-63.2	151.8	168.4	-69.5	173.1	-176.3	172.4	0	110.6	Y140 L141 V142 D144 D191 Q192	Y140-K189 PolarHBondContact O-NZ 3.4Å; L141-K189 PolarHBondContact O-NZ 3.02Å; V142-K189 WeakPolarHBondContact O-CG 3.23Å; V142-K189 PolarHBondContact O-N 3.06Å; D144-K189 WeakPolarHBondContact OD1-CG 3.41Å; K189-D191 VanDerWaalsContact CB-OD1 3.28Å; K189-D191 WeakPolarHBondContact CB-OD1 3.46Å; K189-D191 PolarHBondContact O-N 2.92Å; K189-Q192 HydrophobicContact CB-CB 4.17Å; K189-Q192 HydrophobicContact CB-CG 3.85Å; K189-Q192 HydrophobicContact CD-CG 4.4Å; K189-Q192 PolarHBondContact O-N 2.82Å
190	E	94.3	Very high	95.8	Very high	149 Å²	149	46.9 Å²	46.9	70%	0.696	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-60.8	-30	-178.6	-60.9	-165.8	149	0	0	113.3	R85 L193	R85-E190 IonicContact NH1-OE1 2.74Å; R85-E190 PolarHBondContact NH1-OE1 3.1Å; E190-L193 WeakPolarHBondContact O-CG 3.39Å
191	D	95.1	Very high	95.8	Very high	105 Å²	105	46.5 Å²	46.5	56%	0.561	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-90.1	3.8	178.6	71.8	-44.4	0	0	0	113.8	K39 K189	K39-D191 IonicContact NZ-OD2 2.78Å; K189-D191 VanDerWaalsContact CB-OD1 3.28Å; K189-D191 WeakPolarHBondContact CB-OD1 3.46Å; K189-D191 PolarHBondContact O-N 2.92Å
192	Q	95.1	Very high	95.8	Very high	15 Å²	15	49 Å²	49	7%	0.07	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-123.2	20.5	-175.3	-55.1	-63.3	-56.9	0	0	112.4	V142 M188 K189 D194 F195	V142-Q192 HydrophobicContact CB-CB 4.16Å; V142-Q192 HydrophobicContact CB-CG 4.28Å; V142-Q192 HydrophobicContact CG1-CG 4.39Å; M188-Q192 HydrophobicContact CE-CB 4.35Å; M188-Q192 WeakPolarHBondContact CE-O 3.31Å; K189-Q192 HydrophobicContact CB-CB 4.17Å; K189-Q192 HydrophobicContact CB-CG 3.85Å; K189-Q192 HydrophobicContact CD-CG 4.4Å; K189-Q192 PolarHBondContact O-N 2.82Å; Q192-D194 VanDerWaalsContact C-OD1 3.3Å; Q192-D194 WeakPolarHBondContact CA-OD1 3.29Å; Q192-D194 PolarHBondContact O-N 2.96Å; Q192-F195 HydrophobicContact CB-CD2 4.33Å; Q192-F195 PolarHBondContact O-N 2.74Å
193	L	95.4	Very high	95.5	Very high	64 Å²	64	52.2 Å²	52.2	34%	0.335	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-70.8	-14.5	179	-60.9	178	0	0	0	112.9	R85 M188 E190 F195 L196	R85-L193 HydrophobicContact CB-CD2 4.01Å; R85-L193 HydrophobicContact CG-CD2 3.92Å; M188-L193 HydrophobicContact CB-CD2 4.11Å; E190-L193 WeakPolarHBondContact O-CG 3.39Å; L193-F195 PolarHBondContact O-N 3.12Å; L193-L196 HydrophobicContact CD2-CD1 3.98Å; L193-L196 WeakPolarHBondContact O-CB 3.28Å; L193-L196 PolarHBondContact O-N 3.49Å
194	D	95.2	Very high	95.3	Very high	58 Å²	58	49.9 Å²	49.9	31%	0.31	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-59.8	-30.5	172.9	68.6	-48	0	0	0	111.9	Q192 L196 E197 R200	Q192-D194 VanDerWaalsContact C-OD1 3.3Å; Q192-D194 WeakPolarHBondContact CA-OD1 3.29Å; Q192-D194 PolarHBondContact O-N 2.96Å; D194-L196 PolarHBondContact O-N 3.47Å; D194-E197 VanDerWaalsContact O-CB 3.27Å; D194-E197 WeakPolarHBondContact O-CB 3.18Å; D194-E197 WeakPolarHBondContact O-CG 3.34Å; D194-E197 PolarHBondContact O-N 2.94Å; D194-R200 VanDerWaalsContact O-CB 3.24Å; D194-R200 WeakPolarHBondContact O-CB 3.48Å; D194-R200 IonicContact OD2-NE 3.62Å
195	F	95.6	Very high	95.1	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.022	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-71.1	-2.9	173.5	-70.1	-71.6	0	0	0	114.5	E40 F42 V142 M188 Q192 L193 R200 I201 V204	E40-F195 HydrophobicContact CB-CE1 3.91Å; E40-F195 HydrophobicContact CB-CZ 3.99Å; F42-F195 HydrophobicContact CE1-CB 4.44Å; F42-F195 AromaticContact CE1-CD1 3.58Å; F42-F195 HydrophobicContact CE1-CD1 3.58Å; F42-F195 HydrophobicContact CE1-CD2 4.08Å; F42-F195 AromaticContact CE1-CE1 3.7Å; F42-F195 HydrophobicContact CE1-CE1 3.7Å; F42-F195 HydrophobicContact CE1-CE2 4.18Å; F42-F195 AromaticContact CE1-CG 3.78Å; F42-F195 HydrophobicContact CE1-CG 3.78Å; F42-F195 AromaticContact CE1-CZ 3.99Å; F42-F195 HydrophobicContact CE1-CZ 3.99Å; F42-F195 HydrophobicContact CZ-CB 4.25Å; F42-F195 AromaticContact CZ-CD1 4Å; F42-F195 HydrophobicContact CZ-CD1 4Å; F42-F195 HydrophobicContact CZ-CG 4.06Å; V142-F195 HydrophobicContact CG1-CD2 4.04Å; V142-F195 HydrophobicContact CG1-CE2 3.8Å; M188-F195 HydrophobicContact CE-CB 3.78Å; M188-F195 HydrophobicContact CE-CD2 4.5Å; Q192-F195 HydrophobicContact CB-CD2 4.33Å; Q192-F195 PolarHBondContact O-N 2.74Å; L193-F195 PolarHBondContact O-N 3.12Å; F195-R200 HydrophobicContact CD1-CG 3.89Å; F195-R200 HydrophobicContact CE1-CG 4.18Å; F195-I201 WeakPolarHBondContact O-CD1 3.48Å; F195-I201 WeakPolarHBondContact O-CG1 3.36Å; F195-V204 HydrophobicContact CE1-CG2 4.16Å
196	L	95.6	Very high	94.7	Very high	5 Å²	5	53.7 Å²	53.7	3%	0.026	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-93	-4	168	-55.7	-179.8	0	0	0	112.2	P80 K82 T86 L87 M188 L193 D194	P80-L196 HydrophobicContact CB-CD2 4.35Å; K82-L196 VanDerWaalsContact CE-O 3.27Å; K82-L196 WeakPolarHBondContact CE-O 3.39Å; K82-L196 HydrophobicContact CG-CB 4.1Å; T86-L196 VanDerWaalsContact O-CD2 3.25Å; T86-L196 WeakPolarHBondContact O-CD2 3.39Å; L87-L196 HydrophobicContact CB-CD2 3.84Å; L87-L196 HydrophobicContact CD1-CD2 4.41Å; M188-L196 HydrophobicContact CG-CD1 4.27Å; M188-L196 HydrophobicContact CG-CD2 3.91Å; M188-L196 HydrophobicContact CG-CG 4.19Å; L193-L196 HydrophobicContact CD2-CD1 3.98Å; L193-L196 WeakPolarHBondContact O-CB 3.28Å; L193-L196 PolarHBondContact O-N 3.49Å; D194-L196 PolarHBondContact O-N 3.47Å
197	E	94.5	Very high	94.1	Very high	85 Å²	85	56.9 Å²	56.9	40%	0.397	26%	0.258	S	S	.	.	S	Bend	trans	-80.4	131.3	173.3	-60.8	-175.7	175.4	0	0	111.2	D194 R199 R200 I201	D194-E197 VanDerWaalsContact O-CB 3.27Å; D194-E197 WeakPolarHBondContact O-CB 3.18Å; D194-E197 WeakPolarHBondContact O-CG 3.34Å; D194-E197 PolarHBondContact O-N 2.94Å; E197-R199 VanDerWaalsContact C-N 3.27Å; E197-R199 PolarHBondContact O-N 2.94Å; E197-R200 HydrophobicContact CB-CB 4.29Å; E197-R200 PolarHBondContact O-N 3.39Å; E197-R200 VanDerWaalsContact O-N 3.1Å; E197-I201 WeakPolarHBondContact O-CG1 3.41Å; E197-I201 PolarHBondContact O-N 3.23Å; E197-I201 VanDerWaalsContact O-N 3.08Å
198	E	93.4	Very high	93.6	Very high	79 Å²	79	53.8 Å²	53.8	37%	0.369	25%	0.246	S	C	.	.	H	α-helix	trans	-51.5	-45.9	177.3	-177.5	-170.1	143.6	0	0	112.2	R200 I201 K202 L218 V220	E198-R200 VanDerWaalsContact C-N 3.35Å; E198-R200 PolarHBondContact O-N 3.24Å; E198-I201 PolarHBondContact O-N 3.36Å; E198-K202 HydrophobicContact CG-CD 3.99Å; E198-K202 HydrophobicContact CG-CG 4.41Å; E198-K202 WeakPolarHBondContact O-CB 3.45Å; E198-K202 WeakPolarHBondContact O-CG 3.35Å; E198-K202 PolarHBondContact O-N 2.94Å; E198-K202 VanDerWaalsContact OE1-CE 3.25Å; E198-K202 WeakPolarHBondContact OE1-CE 3.22Å; E198-K202 IonicContact OE1-NZ 2.87Å; E198-K202 PolarHBondContact OE1-NZ 3.31Å; E198-L218 HydrophobicContact CG-CD2 4.06Å; E198-V220 HydrophobicContact CG-CG1 3.86Å
199	R	94.4	Very high	93.2	Very high	147 Å²	147	53.4 Å²	53.4	56%	0.555	24%	0.244	S	C	*	.	H	α-helix	trans	-57.1	-47.8	179.5	-175.3	-173.4	65.1	88.6	1	111.3	E197 K202 E203	E197-R199 VanDerWaalsContact C-N 3.27Å; E197-R199 PolarHBondContact O-N 2.94Å; R199-K202 PolarHBondContact O-N 2.85Å; R199-E203 WeakPolarHBondContact CG-OE1 3.43Å; R199-E203 IonicContact CZ-OE1 3.31Å; R199-E203 VanDerWaalsContact NH1-CD 3.32Å; R199-E203 IonicContact NH1-OE1 2.91Å; R199-E203 PolarHBondContact NH1-OE1 3.4Å; R199-E203 IonicContact NH1-OE2 2.83Å; R199-E203 PolarHBondContact NH1-OE2 3.27Å; R199-E203 VanDerWaalsContact O-CG 3.3Å; R199-E203 WeakPolarHBondContact O-CG 3.43Å; R199-E203 PolarHBondContact O-N 3.48Å
200	R	94.5	Very high	92.7	Very high	48 Å²	48	51.7 Å²	51.7	18%	0.181	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-44.2	-177.4	-171.9	64.6	-179.6	132.6	8.8	111.2	E40 D194 F195 E197 E198 K202 E203 V204	E40-R200 IonicContact OE2-CZ 2.66Å; E40-R200 IonicContact OE2-NH1 3.23Å; E40-R200 PolarHBondContact OE2-NH1 3.38Å; E40-R200 IonicContact OE2-NH2 2.92Å; E40-R200 PolarHBondContact OE2-NH2 2.92Å; D194-R200 VanDerWaalsContact O-CB 3.24Å; D194-R200 WeakPolarHBondContact O-CB 3.48Å; D194-R200 IonicContact OD2-NE 3.62Å; F195-R200 HydrophobicContact CD1-CG 3.89Å; F195-R200 HydrophobicContact CE1-CG 4.18Å; E197-R200 HydrophobicContact CB-CB 4.29Å; E197-R200 PolarHBondContact O-N 3.39Å; E197-R200 VanDerWaalsContact O-N 3.1Å; E198-R200 VanDerWaalsContact C-N 3.35Å; E198-R200 PolarHBondContact O-N 3.24Å; R200-K202 PolarHBondContact O-N 3.45Å; R200-E203 IonicContact NH1-OE2 3.33Å; R200-E203 PolarHBondContact O-N 3.12Å; R200-V204 VanDerWaalsContact O-CG2 3.31Å; R200-V204 WeakPolarHBondContact O-CG2 3.33Å; R200-V204 PolarHBondContact O-N 2.9Å; R200-V204 VanDerWaalsContact O-N 3.08Å
201	I	94.9	Very high	92.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-47.2	176.7	-62.8	168.8	0	0	0	110.6	L43 I78 P80 L87 F195 E197 E198 E203 V204 I205 L218	L43-I201 HydrophobicContact CD2-CG2 4.32Å; I78-I201 HydrophobicContact CG2-CG2 4.28Å; P80-I201 HydrophobicContact CB-CD1 3.92Å; P80-I201 HydrophobicContact CG-CD1 4.01Å; L87-I201 HydrophobicContact CD1-CD1 4.1Å; F195-I201 WeakPolarHBondContact O-CD1 3.48Å; F195-I201 WeakPolarHBondContact O-CG1 3.36Å; E197-I201 WeakPolarHBondContact O-CG1 3.41Å; E197-I201 PolarHBondContact O-N 3.23Å; E197-I201 VanDerWaalsContact O-N 3.08Å; E198-I201 PolarHBondContact O-N 3.36Å; I201-E203 PolarHBondContact O-N 3.38Å; I201-V204 PolarHBondContact O-N 3.02Å; I201-I205 HydrophobicContact CG2-CD1 3.51Å; I201-I205 HydrophobicContact CG2-CG1 4.4Å; I201-I205 WeakPolarHBondContact O-CG1 3.43Å; I201-I205 PolarHBondContact O-N 3.38Å; I201-L218 HydrophobicContact CB-CD2 4.44Å; I201-L218 HydrophobicContact CD1-CD1 4.12Å; I201-L218 HydrophobicContact CG2-CD1 3.88Å; I201-L218 HydrophobicContact CG2-CD2 4.1Å
202	K	94.1	Very high	92	Very high	52 Å²	52	40 Å²	40	23%	0.226	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-42.6	177.8	-75.1	-177	172.2	-179.6	0	112.3	E198 R199 R200 K206 L218 E281 L283	E198-K202 HydrophobicContact CG-CD 3.99Å; E198-K202 HydrophobicContact CG-CG 4.41Å; E198-K202 WeakPolarHBondContact O-CB 3.45Å; E198-K202 WeakPolarHBondContact O-CG 3.35Å; E198-K202 PolarHBondContact O-N 2.94Å; E198-K202 VanDerWaalsContact OE1-CE 3.25Å; E198-K202 WeakPolarHBondContact OE1-CE 3.22Å; E198-K202 IonicContact OE1-NZ 2.87Å; E198-K202 PolarHBondContact OE1-NZ 3.31Å; R199-K202 PolarHBondContact O-N 2.85Å; R200-K202 PolarHBondContact O-N 3.45Å; K202-K206 WeakPolarHBondContact O-CB 3.43Å; K202-K206 PolarHBondContact O-N 3.28Å; K202-L218 HydrophobicContact CG-CD2 4Å; K202-E281 WeakPolarHBondContact CE-OE2 3.48Å; K202-E281 VanDerWaalsContact NZ-CD 3.27Å; K202-E281 IonicContact NZ-OE1 2.8Å; K202-E281 PolarHBondContact NZ-OE1 2.9Å; K202-E281 IonicContact NZ-OE2 3.47Å; K202-E281 PolarHBondContact NZ-OE2 3.01Å; K202-L283 HydrophobicContact CD-CD2 4.3Å; K202-L283 HydrophobicContact CG-CD1 4.3Å; K202-L283 HydrophobicContact CG-CD2 3.9Å
203	E	92.1	Very high	91.6	Very high	77 Å²	77	42.1 Å²	42.1	36%	0.36	21%	0.205	S	C	.	.	H	α-helix	trans	-59.9	-48.2	176.3	-77.2	169.4	-175	0	0	112.2	R199 R200 I201 K206 K207	R199-E203 WeakPolarHBondContact CG-OE1 3.43Å; R199-E203 IonicContact CZ-OE1 3.31Å; R199-E203 VanDerWaalsContact NH1-CD 3.32Å; R199-E203 IonicContact NH1-OE1 2.91Å; R199-E203 PolarHBondContact NH1-OE1 3.4Å; R199-E203 IonicContact NH1-OE2 2.83Å; R199-E203 PolarHBondContact NH1-OE2 3.27Å; R199-E203 VanDerWaalsContact O-CG 3.3Å; R199-E203 WeakPolarHBondContact O-CG 3.43Å; R199-E203 PolarHBondContact O-N 3.48Å; R200-E203 IonicContact NH1-OE2 3.33Å; R200-E203 PolarHBondContact O-N 3.12Å; I201-E203 PolarHBondContact O-N 3.38Å; E203-K206 PolarHBondContact O-N 3.05Å; E203-K207 WeakPolarHBondContact O-CB 3.12Å; E203-K207 PolarHBondContact O-N 2.65Å
204	V	93.1	Very high	91.4	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-65.5	-43.4	-178.6	177.2	0	0	0	0	111	E40 L43 F195 R200 I201 K207 H208	E40-V204 HydrophobicContact CB-CG1 4.3Å; E40-V204 HydrophobicContact CB-CG2 3.93Å; E40-V204 HydrophobicContact CG-CG1 4.5Å; E40-V204 HydrophobicContact CG-CG2 4.45Å; L43-V204 HydrophobicContact CB-CG1 3.94Å; L43-V204 HydrophobicContact CD2-CB 4.18Å; L43-V204 HydrophobicContact CD2-CG1 3.86Å; L43-V204 HydrophobicContact CG-CG1 4.37Å; F195-V204 HydrophobicContact CE1-CG2 4.16Å; R200-V204 VanDerWaalsContact O-CG2 3.31Å; R200-V204 WeakPolarHBondContact O-CG2 3.33Å; R200-V204 PolarHBondContact O-N 2.9Å; R200-V204 VanDerWaalsContact O-N 3.08Å; I201-V204 PolarHBondContact O-N 3.02Å; V204-K207 PolarHBondContact O-N 3.24Å; V204-H208 PolarHBondContact O-CD2 3.25Å; V204-H208 PolarHBondContact O-N 3.19Å
205	I	92.4	Very high	91.4	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.01	19%	0.193	C	C	.	.	H	α-helix	trans	-67.4	-42.9	178.8	-67.1	167.3	0	0	0	111.2	L43 I47 I78 I201 K207 H208 S209 Q210 I216 L283	L43-I205 HydrophobicContact CD2-CD1 4.23Å; L43-I205 HydrophobicContact CD2-CG1 3.84Å; I47-I205 HydrophobicContact CD1-CG1 3.98Å; I78-I205 HydrophobicContact CD1-CD1 3.36Å; I78-I205 HydrophobicContact CD1-CG1 4.3Å; I201-I205 HydrophobicContact CG2-CD1 3.51Å; I201-I205 HydrophobicContact CG2-CG1 4.4Å; I201-I205 WeakPolarHBondContact O-CG1 3.43Å; I201-I205 PolarHBondContact O-N 3.38Å; I205-K207 PolarHBondContact O-N 3.26Å; I205-H208 PolarHBondContact O-N 2.92Å; I205-S209 CarbonylContact O-C 3.59Å; I205-S209 WeakPolarHBondContact O-CA 3.39Å; I205-S209 PolarHBondContact O-N 3.5Å; I205-Q210 PolarHBondContact O-N 3.12Å; I205-I216 HydrophobicContact CD1-CG2 4.14Å; I205-I216 HydrophobicContact CG2-CD1 4.23Å; I205-I216 HydrophobicContact CG2-CG2 4.26Å; I205-L283 HydrophobicContact CB-CD1 4.21Å; I205-L283 HydrophobicContact CD1-CD1 3.35Å; I205-L283 HydrophobicContact CG1-CD1 4.38Å; I205-L283 HydrophobicContact CG2-CB 3.94Å; I205-L283 HydrophobicContact CG2-CD1 4.04Å
206	K	88.7	Confident	91.4	Very high	106 Å²	106	39.2 Å²	39.2	46%	0.461	19%	0.192	S	C	.	.	H	α-helix	trans	-60.9	-33.2	175.8	-175.6	177.1	178	-178.1	0	111.7	K202 E203 N311	K202-K206 WeakPolarHBondContact O-CB 3.43Å; K202-K206 PolarHBondContact O-N 3.28Å; E203-K206 PolarHBondContact O-N 3.05Å; K206-N311 PolarHBondContact NZ-OD1 3.27Å
207	K	86.4	Confident	91.5	Very high	67 Å²	67	40.1 Å²	40.1	29%	0.291	20%	0.195	S	C	.	.	H	α-helix	trans	-76.8	-50.9	178.1	-175.2	174.7	176	-172.5	0	112.3	E40 E203 V204 I205 F362	E40-K207 IonicContact OE1-NZ 3.96Å; E40-K207 PolarHBondContact OE1-NZ 2.98Å; E203-K207 WeakPolarHBondContact O-CB 3.12Å; E203-K207 PolarHBondContact O-N 2.65Å; V204-K207 PolarHBondContact O-N 3.24Å; I205-K207 PolarHBondContact O-N 3.26Å; K207-F362 HydrophobicContact CG-CD1 4.28Å; K207-F362 HydrophobicContact CG-CE1 4.12Å; K207-F362 WeakPolarHBondContact O-CB 3.44Å; K207-F362 WeakPolarHBondContact O-CG 3.45Å
208	H	87.8	Confident	91.6	Very high	8 Å²	8	36.1 Å²	36.1	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-101.6	-27	-164.4	-67.4	-72.2	0	0	0	115.1	E40 R44 V204 I205 F362	E40-H208 IonicContact OE1-CD2 3.69Å; E40-H208 IonicContact OE1-CE1 3.5Å; E40-H208 IonicContact OE1-NE2 3.03Å; E40-H208 PolarHBondContact OE1-NE2 3.01Å; R44-H208 HydrophobicContact CB-CB 3.84Å; R44-H208 HydrophobicContact CG-CB 3.91Å; V204-H208 PolarHBondContact O-CD2 3.25Å; V204-H208 PolarHBondContact O-N 3.19Å; I205-H208 PolarHBondContact O-N 2.92Å; H208-F362 AromaticContact CE1-CD1 4Å; H208-F362 AromaticContact ND1-CD1 3.62Å
209	S	88.2	Confident	91.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	17%	0.17	C	C	.	.	S	Bend	trans	-129.5	17.9	-166.5	-55.2	0	0	0	0	113.4	I205 F211 I212	I205-S209 CarbonylContact O-C 3.59Å; I205-S209 WeakPolarHBondContact O-CA 3.39Å; I205-S209 PolarHBondContact O-N 3.5Å; S209-F211 PolarHBondContact O-N 3.46Å; S209-F211 VanDerWaalsContact O-N 3.16Å; S209-I212 PolarHBondContact O-N 2.73Å
210	Q	85.5	Confident	91.4	Very high	10 Å²	10	27.7 Å²	27.7	5%	0.047	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-30.3	-178.2	-173.8	175.5	14.2	0	0	113.4	I205 N284 T286 S308	I205-Q210 PolarHBondContact O-N 3.12Å; Q210-N284 WeakPolarHBondContact O-CB 3.44Å; Q210-T286 PolarHBondContact NE2-OG1 3.17Å; Q210-S308 PolarHBondContact NE2-OG 3.3Å
211	F	87.5	Confident	91	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	16.1	-172	-56.7	-63.7	0	0	0	114.1	S209 G213 T286 P288 W290 F305 Y357 R360	S209-F211 PolarHBondContact O-N 3.46Å; S209-F211 VanDerWaalsContact O-N 3.16Å; F211-G213 PolarHBondContact O-N 3.13Å; F211-T286 HydrophobicContact CE1-CG2 3.9Å; F211-P288 HydrophobicContact CB-CB 4.32Å; F211-P288 HydrophobicContact CD1-CB 4.2Å; F211-W290 HydrophobicContact CB-CH2 4.03Å; F211-W290 HydrophobicContact CB-CZ2 4.35Å; F211-W290 AromaticContact CD1-CH2 3.77Å; F211-W290 HydrophobicContact CD1-CH2 3.77Å; F211-W290 HydrophobicContact CD1-CZ3 4.14Å; F211-W290 AromaticContact CD2-CH2 3.47Å; F211-W290 HydrophobicContact CD2-CH2 3.47Å; F211-W290 VanDerWaalsContact CD2-CH2 3.47Å; F211-W290 HydrophobicContact CD2-CZ2 4.38Å; F211-W290 HydrophobicContact CD2-CZ3 4.28Å; F211-W290 HydrophobicContact CE1-CH2 4.04Å; F211-W290 HydrophobicContact CE1-CZ3 4.01Å; F211-W290 AromaticContact CE2-CH2 3.72Å; F211-W290 HydrophobicContact CE2-CH2 3.72Å; F211-W290 HydrophobicContact CE2-CZ3 4.12Å; F211-W290 AromaticContact CG-CH2 3.47Å; F211-W290 HydrophobicContact CG-CH2 3.47Å; F211-W290 VanDerWaalsContact CG-CH2 3.47Å; F211-W290 HydrophobicContact CG-CZ2 4.25Å; F211-W290 HydrophobicContact CG-CZ3 4.26Å; F211-W290 AromaticContact CZ-CH2 3.99Å; F211-W290 HydrophobicContact CZ-CH2 3.99Å; F211-W290 AromaticContact CZ-CZ3 3.98Å; F211-W290 HydrophobicContact CZ-CZ3 3.98Å; F211-F305 HydrophobicContact CE1-CD2 4.48Å; F211-F305 AromaticContact CE1-CE2 3.58Å; F211-F305 HydrophobicContact CE1-CE2 3.58Å; F211-F305 HydrophobicContact CE1-CZ 4.32Å; F211-F305 AromaticContact CZ-CE2 3.7Å; F211-F305 HydrophobicContact CZ-CE2 3.7Å; F211-F305 HydrophobicContact CZ-CZ 4.01Å; F211-Y357 HydrophobicContact CD2-CD1 4.12Å; F211-Y357 AromaticContact CD2-CE1 3.5Å; F211-Y357 HydrophobicContact CD2-CE1 3.5Å; F211-Y357 VanDerWaalsContact CD2-CE1 3.5Å; F211-Y357 HydrophobicContact CD2-CE2 4.43Å; F211-Y357 AromaticContact CD2-CZ 3.69Å; F211-Y357 AromaticContact CE2-CE1 3.93Å; F211-Y357 HydrophobicContact CE2-CE1 3.93Å; F211-Y357 HydrophobicContact CE2-CE2 4.19Å; F211-Y357 AromaticContact CE2-CZ 3.59Å; F211-Y357 WeakPolarHBondContact CE2-OH 3.39Å; F211-R360 HydrophobicContact CB-CB 4.21Å
212	I	88.2	Confident	90.5	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.041	18%	0.182	C	C	.	.			trans	-61.8	135.7	168.1	-64.3	-63.7	0	0	0	108.8	I47 I76 S209 Y214 I216 N284 V361	I47-I212 HydrophobicContact CG2-CG1 4.07Å; I76-I212 HydrophobicContact CD1-CG2 4.48Å; S209-I212 PolarHBondContact O-N 2.73Å; I212-Y214 PolarHBondContact O-N 3.45Å; I212-I216 HydrophobicContact CB-CD1 4.12Å; I212-I216 HydrophobicContact CG1-CD1 4.41Å; I212-I216 HydrophobicContact CG2-CD1 4.46Å; I212-N284 PolarHBondContact O-ND2 2.89Å; I212-V361 HydrophobicContact CD1-CG2 4.22Å
213	G	86.8	Confident	90	Very high	59 Å²	59	37.6 Å²	37.6	61%	0.608	19%	0.193	S	C	*	.	S	Bend	trans	-70.8	-14.6	-170	0	0	0	0	0	115.3	F211	F211-G213 PolarHBondContact O-N 3.13Å
214	Y	91.8	Very high	89.5	Confident	15 Å²	15	40.1 Å²	40.1	6%	0.059	20%	0.2	C	C	.	.	S	Bend	trans	-107.2	145.2	-177.4	-60.8	-77.2	0	0	0	111.5	L54 D55 R58 L74 I212 I216 N284	L54-Y214 HydrophobicContact CB-CD1 4.13Å; L54-Y214 HydrophobicContact CB-CD2 3.73Å; L54-Y214 HydrophobicContact CB-CE1 3.95Å; L54-Y214 HydrophobicContact CB-CE2 3.54Å; L54-Y214 HydrophobicContact CB-CG 4.04Å; L54-Y214 HydrophobicContact CD1-CD1 4.08Å; L54-Y214 HydrophobicContact CD1-CD2 3.75Å; L54-Y214 HydrophobicContact CD1-CE2 4.45Å; L54-Y214 HydrophobicContact CD1-CG 3.55Å; L54-Y214 HydrophobicContact CG-CD2 4.4Å; L54-Y214 HydrophobicContact CG-CG 4.4Å; D55-Y214 VanDerWaalsContact OD1-CE2 3.27Å; D55-Y214 WeakPolarHBondContact OD1-CE2 3.46Å; D55-Y214 VanDerWaalsContact OD1-CZ 3.31Å; D55-Y214 PolarHBondContact OD1-OH 3.11Å; R58-Y214 VanDerWaalsContact CD-OH 3.24Å; R58-Y214 WeakPolarHBondContact CD-OH 3.29Å; L74-Y214 HydrophobicContact CB-CD1 3.9Å; L74-Y214 HydrophobicContact CB-CE1 4.05Å; L74-Y214 HydrophobicContact CD1-CE1 3.93Å; I212-Y214 PolarHBondContact O-N 3.45Å; Y214-I216 PolarHBondContact O-N 3.33Å; Y214-N284 PolarHBondContact O-ND2 3.41Å
215	P	94.5	Very high	88.9	Confident	52 Å²	52	45.2 Å²	45.2	34%	0.338	23%	0.227	S	C	.	.			trans	-57.3	126.3	177.4	-23.5	33.5	0	0	0	112.4	L74 F75 I76 V282	L74-P215 WeakPolarHBondContact O-CD 3.26Å; F75-P215 HydrophobicContact CB-CB 4.46Å; I76-P215 PolarHBondContact N-O 2.92Å; P215-V282 HydrophobicContact CB-CG1 4.34Å
216	I	95.8	Very high	88.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	107.2	172.1	-57.4	170.4	0	0	0	107.5	I47 I76 I78 I205 I212 Y214 V282 L283 N284	I47-I216 HydrophobicContact CD1-CD1 4.43Å; I47-I216 HydrophobicContact CG2-CD1 3.83Å; I76-I216 CarbonylContact O-C 3.5Å; I76-I216 WeakPolarHBondContact O-CA 3.26Å; I78-I216 HydrophobicContact CD1-CG2 3.89Å; I205-I216 HydrophobicContact CD1-CG2 4.14Å; I205-I216 HydrophobicContact CG2-CD1 4.23Å; I205-I216 HydrophobicContact CG2-CG2 4.26Å; I212-I216 HydrophobicContact CB-CD1 4.12Å; I212-I216 HydrophobicContact CG1-CD1 4.41Å; I212-I216 HydrophobicContact CG2-CD1 4.46Å; Y214-I216 PolarHBondContact O-N 3.33Å; I216-V282 WeakPolarHBondContact O-CA 3.31Å; I216-L283 PolarHBondContact O-N 3Å; I216-N284 HydrophobicContact CD1-CB 4.38Å; I216-N284 PolarHBondContact N-OD1 2.87Å
217	K	96.5	Very high	87.1	Confident	23 Å²	23	49.3 Å²	49.3	10%	0.1	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136	-179.8	-56	-177.2	-175.7	175.8	0	109.9	E73 F75 I76 K77 I78 E280 E281 V282	E73-K217 WeakPolarHBondContact OE1-CE 3.3Å; E73-K217 IonicContact OE1-NZ 3.08Å; E73-K217 PolarHBondContact OE1-NZ 3.34Å; E73-K217 IonicContact OE2-NZ 2.82Å; F75-K217 HydrophobicContact CD2-CD 4.17Å; F75-K217 HydrophobicContact CG-CD 4.39Å; I76-K217 PolarHBondContact O-N 3.07Å; K77-K217 CarbonylContact C-O 3.59Å; K77-K217 WeakPolarHBondContact CA-O 3.38Å; K77-K217 HydrophobicContact CB-CB 4.4Å; I78-K217 PolarHBondContact N-O 3.35Å; K217-E280 HydrophobicContact CB-CB 4.49Å; K217-E280 VanDerWaalsContact CD-OE2 3.3Å; K217-E280 WeakPolarHBondContact CD-OE2 3.27Å; K217-E280 IonicContact NZ-OE2 3.56Å; K217-E281 CarbonylContact C-O 3.52Å; K217-E281 WeakPolarHBondContact CA-O 3.5Å; K217-V282 HydrophobicContact CG-CG2 4.31Å
218	L	96.5	Very high	85.8	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128.2	171.1	177.7	62.8	0	0	0	109.3	I78 P80 E198 I201 K202 V220 E281 L283	I78-L218 HydrophobicContact CB-CD1 4.01Å; I78-L218 HydrophobicContact CG2-CD1 3.85Å; P80-L218 HydrophobicContact CG-CD1 4.28Å; E198-L218 HydrophobicContact CG-CD2 4.06Å; I201-L218 HydrophobicContact CB-CD2 4.44Å; I201-L218 HydrophobicContact CD1-CD1 4.12Å; I201-L218 HydrophobicContact CG2-CD1 3.88Å; I201-L218 HydrophobicContact CG2-CD2 4.1Å; K202-L218 HydrophobicContact CG-CD2 4Å; L218-V220 HydrophobicContact CB-CG1 4.43Å; L218-V220 HydrophobicContact CD2-CG1 3.8Å; L218-V220 HydrophobicContact CG-CG1 3.77Å; L218-V220 PolarHBondContact O-N 3.45Å; L218-E281 PolarHBondContact N-O 2.96Å; L218-E281 PolarHBondContact O-N 3.47Å; L218-L283 HydrophobicContact CB-CD1 3.76Å; L218-L283 HydrophobicContact CB-CD2 4.39Å; L218-L283 HydrophobicContact CB-CG 4.11Å; L218-L283 HydrophobicContact CD2-CD1 4.08Å
219	L	94.1	Very high	84.5	Confident	45 Å²	45	50.1 Å²	50.1	24%	0.236	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	114.5	170.3	-166.9	73.1	0	0	0	109	I78 V79 E280	I78-L219 PolarHBondContact O-N 3.36Å; V79-L219 HydrophobicContact CG1-CB 4.47Å; V79-L219 HydrophobicContact CG1-CD2 3.77Å; V79-L219 HydrophobicContact CG2-CB 4.3Å; L219-E280 HydrophobicContact CD1-CG 4.16Å
220	V	90.2	Very high	83	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.024	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.8	-179.9	-63.3	0	0	0	0	110.7	E198 L218 K222 T278 E279 E281	E198-V220 HydrophobicContact CG-CG1 3.86Å; L218-V220 HydrophobicContact CB-CG1 4.43Å; L218-V220 HydrophobicContact CD2-CG1 3.8Å; L218-V220 HydrophobicContact CG-CG1 3.77Å; L218-V220 PolarHBondContact O-N 3.45Å; V220-K222 HydrophobicContact CG2-CG 4.28Å; V220-T278 VanDerWaalsContact O-CA 3.3Å; V220-T278 WeakPolarHBondContact O-CA 3.5Å; V220-E279 HydrophobicContact CG2-CB 4.31Å; V220-E279 WeakPolarHBondContact CG2-O 3.48Å; V220-E279 PolarHBondContact N-O 3.1Å; V220-E279 PolarHBondContact O-N 2.72Å; V220-E281 HydrophobicContact CG2-CB 4.28Å
221	E	85.9	Confident	81.7	Confident	142 Å²	142	60.9 Å²	60.9	66%	0.664	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.6	123.8	170.9	-67.8	-177.3	173	0	0	109.3	T278	E221-T278 HydrophobicContact CG-CG2 4.13Å
222	K	84.1	Confident	80.2	Confident	67 Å²	67	64.2 Å²	64.2	29%	0.291	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	156.5	177	-69.2	-172.3	-175.4	174.9	0	111.1	V220 K276 Y277 E279	V220-K222 HydrophobicContact CG2-CG 4.28Å; K222-K276 CarbonylContact O-C 3.57Å; K222-K276 WeakPolarHBondContact O-CA 3.21Å; K222-Y277 HydrophobicContact CB-CD1 4.25Å; K222-Y277 HydrophobicContact CB-CD2 4.49Å; K222-Y277 HydrophobicContact CB-CE1 3.64Å; K222-Y277 HydrophobicContact CB-CE2 3.93Å; K222-Y277 VanDerWaalsContact CB-CZ 3.46Å; K222-Y277 HydrophobicContact CD-CE2 4.24Å; K222-Y277 WeakPolarHBondContact CD-OH 3.39Å; K222-Y277 PolarHBondContact N-O 2.91Å; K222-Y277 WeakPolarHBondContact O-CD1 3.25Å; K222-Y277 PolarHBondContact O-N 2.99Å; K222-E279 HydrophobicContact CD-CB 4.42Å; K222-E279 VanDerWaalsContact CD-OE2 3.3Å; K222-E279 WeakPolarHBondContact CD-OE2 3.32Å; K222-E279 WeakPolarHBondContact CE-OE2 3.49Å; K222-E279 IonicContact NZ-OE1 3.66Å; K222-E279 PolarHBondContact NZ-OE1 3.14Å; K222-E279 IonicContact NZ-OE2 2.74Å; K222-E279 PolarHBondContact NZ-OE2 3.32Å
223	E	83	Confident	78.3	Confident	101 Å²	101	67.1 Å²	67.1	47%	0.472	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.9	174	-66.1	-177.5	170.5	0	0	110	K274 E275 K276	E223-K274 WeakPolarHBondContact OE2-CD 3.45Å; E223-K274 IonicContact OE2-NZ 3.72Å; E223-K274 PolarHBondContact OE2-NZ 3.22Å; E223-E275 WeakPolarHBondContact CA-O 3.06Å; E223-K276 HydrophobicContact CG-CG 4.05Å
224	R	83	Confident	76.7	Confident	130 Å²	130	71.5 Å²	71.5	49%	0.491	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.8	168	65.1	-178.5	-175.6	-164.9	-3.9	110.9	K226 K274 E275 Y277	R224-K226 PolarHBondContact O-N 3.09Å; R224-K274 CarbonylContact O-C 3.54Å; R224-K274 WeakPolarHBondContact O-CA 3.38Å; R224-E275 HydrophobicContact CG-CB 4.17Å; R224-E275 IonicContact CZ-OE2 3.48Å; R224-E275 VanDerWaalsContact CZ-OE2 3.23Å; R224-E275 PolarHBondContact N-O 2.54Å; R224-E275 IonicContact NE-OE2 3.9Å; R224-E275 PolarHBondContact NE-OE2 2.72Å; R224-E275 VanDerWaalsContact NH2-CD 3.26Å; R224-E275 IonicContact NH2-OE1 2.66Å; R224-E275 PolarHBondContact NH2-OE1 3.3Å; R224-E275 VanDerWaalsContact NH2-OE1 3.08Å; R224-E275 IonicContact NH2-OE2 3.92Å; R224-E275 PolarHBondContact NH2-OE2 2.96Å; R224-E275 PolarHBondContact O-N 2.94Å; R224-Y277 HydrophobicContact CB-CD1 4.33Å; R224-Y277 HydrophobicContact CB-CE1 3.82Å; R224-Y277 HydrophobicContact CG-CD1 3.95Å; R224-Y277 HydrophobicContact CG-CE1 3.94Å
225	D	80.2	Confident	75.1	Confident	108 Å²	108	76.2 Å²	76.2	58%	0.578	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	110	172.2	-68.4	-41.6	0	0	0	109.5	T272 K274	D225-T272 HydrophobicContact CB-CG2 4.33Å; D225-K274 WeakPolarHBondContact OD1-CG 3.23Å
226	K	75	Confident	73.4	Confident	78 Å²	78	77.8 Å²	77.8	34%	0.339	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	122.4	171	-169	-172.7	176.1	-147.5	0	108.3	R224 I228 E232 T272 V273	R224-K226 PolarHBondContact O-N 3.09Å; K226-I228 PolarHBondContact O-N 2.85Å; K226-E232 IonicContact NZ-OE1 2.9Å; K226-E232 PolarHBondContact NZ-OE1 3.03Å; K226-E232 VanDerWaalsContact NZ-OE1 3.1Å; K226-E232 IonicContact NZ-OE2 3.86Å; K226-E232 PolarHBondContact NZ-OE2 3.09Å; K226-T272 WeakPolarHBondContact O-CA 3.42Å; K226-V273 PolarHBondContact N-O 2.93Å; K226-V273 PolarHBondContact O-N 3.28Å
227	E	68	Low	71.4	Confident	116 Å²	116	82.4 Å²	82.4	54%	0.542	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	123.6	165.4	-75.1	-168.2	-175	0	0	108.2	K270 T272	E227-K270 WeakPolarHBondContact OE2-CD 3.16Å; E227-K270 IonicContact OE2-NZ 3.4Å; E227-K270 PolarHBondContact OE2-NZ 2.68Å; E227-T272 HydrophobicContact CG-CG2 4.03Å
228	I	59.7	Low	69.5	Low	27 Å²	27	83.7 Å²	83.7	14%	0.138	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-97	136.4	176	-55.7	-162.2	0	0	0	108.3	K226 E232 K236 V273	K226-I228 PolarHBondContact O-N 2.85Å; I228-E232 HydrophobicContact CG2-CB 3.18Å; I228-E232 HydrophobicContact CG2-CG 4.29Å; I228-K236 HydrophobicContact CD1-CD 3.85Å; I228-V273 HydrophobicContact CD1-CB 3.5Å; I228-V273 HydrophobicContact CD1-CG1 4.23Å; I228-V273 HydrophobicContact CD1-CG2 3.2Å; I228-V273 HydrophobicContact CG1-CB 4.01Å; I228-V273 HydrophobicContact CG1-CG2 3.91Å
229	S	59.2	Low	67.6	Low	65 Å²	65	90 Å²	90	46%	0.455	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-78	151.1	169.2	54.1	0	0	0	0	111	D231 E232	S229-D231 PolarHBondContact O-N 2.66Å; S229-E232 PolarHBondContact O-N 2.94Å
230	D	57.2	Low	65.7	Low	107 Å²	107	94.5 Å²	94.5	57%	0.572	46%	0.461	S	S	*	.	H	α-helix	trans	-45.2	-33.7	-178.1	-60.2	1.2	0	0	0	113.3	E233 K268	D230-E233 WeakPolarHBondContact O-CB 3.39Å; D230-E233 PolarHBondContact O-N 2.72Å; D230-K268 IonicContact OD2-NZ 2.7Å
231	D	59.1	Low	63.9	Low	130 Å²	130	101 Å²	101	70%	0.695	49%	0.49	S	S	*	.	H	α-helix	trans	-71.4	-32.8	178.7	-56.5	-25.1	0	0	0	114.9	S229 E233	S229-D231 PolarHBondContact O-N 2.66Å; D231-E233 PolarHBondContact O-N 2.74Å
232	E	55.4	Low	62.2	Low	71 Å²	71	102 Å²	102	33%	0.332	49%	0.494	S	S	.	.	H	α-helix	trans	-78.8	-10.6	176.5	-84.9	-174.5	-159.9	0	0	110.9	K226 I228 S229 K236	K226-E232 IonicContact NZ-OE1 2.9Å; K226-E232 PolarHBondContact NZ-OE1 3.03Å; K226-E232 VanDerWaalsContact NZ-OE1 3.1Å; K226-E232 IonicContact NZ-OE2 3.86Å; K226-E232 PolarHBondContact NZ-OE2 3.09Å; I228-E232 HydrophobicContact CG2-CB 3.18Å; I228-E232 HydrophobicContact CG2-CG 4.29Å; S229-E232 PolarHBondContact O-N 2.94Å; E232-K236 PolarHBondContact O-N 2.94Å
233	E	48	Very low	60.6	Low	68 Å²	68	106.7 Å²	106.7	32%	0.318	52%	0.517	S	S	.	.	H	α-helix	trans	-75.1	-39.2	177.8	-153.5	175.7	-165.5	0	0	111	D230 D231 D235 K236 E237 K271	D230-E233 WeakPolarHBondContact O-CB 3.39Å; D230-E233 PolarHBondContact O-N 2.72Å; D231-E233 PolarHBondContact O-N 2.74Å; E233-D235 PolarHBondContact O-N 2.94Å; E233-K236 PolarHBondContact O-N 3.32Å; E233-E237 WeakPolarHBondContact O-CB 3.41Å; E233-E237 PolarHBondContact O-N 3.41Å; E233-K271 IonicContact OE1-NZ 2.79Å; E233-K271 PolarHBondContact OE1-NZ 3.47Å
234	E	54	Low	59.1	Low	152 Å²	152	109.6 Å²	109.6	71%	0.71	53%	0.531	S	S	*	.	H	α-helix	trans	-63.8	-40	177.6	-69.8	-169.7	167.1	0	0	112	A238	E234-A238 VanDerWaalsContact O-CB 3.29Å; E234-A238 WeakPolarHBondContact O-CB 3.32Å; E234-A238 PolarHBondContact O-N 2.91Å
235	D	58.4	Low	57.3	Low	113 Å²	113	107.5 Å²	107.5	60%	0.604	54%	0.541	S	S	*	.	H	α-helix	trans	-66.6	-41.8	178.5	-74.2	-21.8	0	0	0	112	E233 A238 E239	E233-D235 PolarHBondContact O-N 2.94Å; D235-A238 PolarHBondContact O-N 3.18Å; D235-E239 PolarHBondContact O-N 3.11Å
236	K	57.5	Low	55.6	Low	86 Å²	86	105.3 Å²	105.3	37%	0.374	54%	0.544	S	S	.	.	H	α-helix	trans	-76	-31.7	178.9	-71.2	-167.9	179.6	-174.7	0	113.5	I228 E232 E233 A238 K240	I228-K236 HydrophobicContact CD1-CD 3.85Å; E232-K236 PolarHBondContact O-N 2.94Å; E233-K236 PolarHBondContact O-N 3.32Å; K236-A238 VanDerWaalsContact C-N 3.33Å; K236-K240 PolarHBondContact O-N 3Å; K236-K240 VanDerWaalsContact O-N 3.14Å
237	E	54.6	Low	54	Low	97 Å²	97	109.7 Å²	109.7	45%	0.453	57%	0.566	S	S	.	*	H	α-helix	trans	-70.5	-31.4	171	-79	-162.3	176.1	0	0	112	E233 K241	E233-E237 WeakPolarHBondContact O-CB 3.41Å; E233-E237 PolarHBondContact O-N 3.41Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 WeakPolarHBondContact O-CG 3.36Å; E237-K241 PolarHBondContact O-N 3.29Å; E237-K241 VanDerWaalsContact O-N 3.08Å; E237-K241 IonicContact OE2-NZ 3.94Å
238	A	57	Low	52.9	Low	50 Å²	50	113.4 Å²	113.4	41%	0.413	58%	0.58	S	S	.	*	H	α-helix	trans	-66.6	-46.7	172.3	0	0	0	0	0	111.7	E234 D235 K236 K240 K241 E242	E234-A238 VanDerWaalsContact O-CB 3.29Å; E234-A238 WeakPolarHBondContact O-CB 3.32Å; E234-A238 PolarHBondContact O-N 2.91Å; D235-A238 PolarHBondContact O-N 3.18Å; K236-A238 VanDerWaalsContact C-N 3.33Å; A238-K240 PolarHBondContact O-N 3.46Å; A238-K241 PolarHBondContact O-N 3.32Å; A238-E242 PolarHBondContact O-N 3.24Å
239	E	55.8	Low	51.8	Low	132 Å²	132	117.8 Å²	117.8	62%	0.617	61%	0.61	S	S	*	*	H	α-helix	trans	-60.7	-42.4	176.1	-78.8	-176.3	159.7	0	0	112.3	D235 K241 E242 E243	D235-E239 PolarHBondContact O-N 3.11Å; E239-K241 PolarHBondContact O-N 3.49Å; E239-E242 PolarHBondContact O-N 3.15Å; E239-E243 PolarHBondContact O-N 3.15Å
240	K	55	Low	50.6	Low	140 Å²	140	123.5 Å²	123.5	61%	0.609	63%	0.627	S	S	*	*	H	α-helix	trans	-65.6	-36.2	176.1	-81.6	-174.6	175.1	-176	0	113.4	K236 A238 E242 E243 E244	K236-K240 PolarHBondContact O-N 3Å; K236-K240 VanDerWaalsContact O-N 3.14Å; A238-K240 PolarHBondContact O-N 3.46Å; K240-E242 VanDerWaalsContact C-N 3.31Å; K240-E243 PolarHBondContact O-N 3.28Å; K240-E244 WeakPolarHBondContact O-CB 3.37Å; K240-E244 PolarHBondContact O-N 2.92Å
241	K	51.6	Low	50	Low	141 Å²	141	126.2 Å²	126.2	61%	0.613	64%	0.64	S	S	*	*	H	α-helix	trans	-70	-28.6	175.7	-79.3	171.8	-178.5	156.3	0	112.1	E237 A238 E239 A245	E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 WeakPolarHBondContact O-CG 3.36Å; E237-K241 PolarHBondContact O-N 3.29Å; E237-K241 VanDerWaalsContact O-N 3.08Å; E237-K241 IonicContact OE2-NZ 3.94Å; A238-K241 PolarHBondContact O-N 3.32Å; E239-K241 PolarHBondContact O-N 3.49Å; K241-A245 PolarHBondContact O-N 2.86Å
242	E	51.5	Low	48.8	Very low	164 Å²	164	127.7 Å²	127.7	77%	0.766	64%	0.643	S	S	*	*	H	α-helix	trans	-74.2	-35.3	172.2	-74.2	-169.1	162.6	0	0	112.4	A238 E239 K240	A238-E242 PolarHBondContact O-N 3.24Å; E239-E242 PolarHBondContact O-N 3.15Å; K240-E242 VanDerWaalsContact C-N 3.31Å
243	E	49.6	Very low	48.1	Very low	165 Å²	165	131.9 Å²	131.9	77%	0.771	67%	0.667	S	S	*	*	H	α-helix	trans	-74.6	-34.7	175.2	-73.3	-172.2	156.8	0	0	113.5	E239 K240 A245	E239-E243 PolarHBondContact O-N 3.15Å; K240-E243 PolarHBondContact O-N 3.28Å; E243-A245 VanDerWaalsContact C-N 3.34Å; E243-A245 PolarHBondContact O-N 3.38Å
244	E	51.1	Low	47.9	Very low	161 Å²	161	135 Å²	135	75%	0.752	69%	0.69	S	S	*	*	H	α-helix	trans	-79.9	-10	178.2	-75	-175.2	171	0	0	114	K240 G246	K240-E244 WeakPolarHBondContact O-CB 3.37Å; K240-E244 PolarHBondContact O-N 2.92Å; E244-G246 PolarHBondContact O-N 3.16Å
245	A	46.6	Very low	46.9	Very low	87 Å²	87	130.9 Å²	130.9	72%	0.719	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.1	-1.3	175.6	0	0	0	0	0	114.1	K241 E243	K241-A245 PolarHBondContact O-N 2.86Å; E243-A245 VanDerWaalsContact C-N 3.34Å; E243-A245 PolarHBondContact O-N 3.38Å
246	G	44.3	Very low	45.9	Very low	62 Å²	62	130.7 Å²	130.7	64%	0.639	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.6	-21.7	-172.5	0	0	0	0	0	118	E244	E244-G246 PolarHBondContact O-N 3.16Å
247	E	40.9	Very low	44.9	Very low	169 Å²	169	133.9 Å²	133.9	79%	0.79	72%	0.718	S	S	*	*	S	Bend	trans	-151.7	103.9	-173.9	-99.4	-172.5	148.9	0	0	115.8
248	K	45.3	Very low	44.1	Very low	195 Å²	195	136 Å²	136	85%	0.848	73%	0.732	S	S	*	*			trans	77.8	155.8	144.8	-82.1	178.4	-178.3	166.4	0	121.4
249	P	36.8	Very low	43.1	Very low	118 Å²	118	142.1 Å²	142.1	77%	0.766	75%	0.752	S	S	*	*				-102.4	162.7	-129.7	38.7	-36.3	0	0	0	117.1
250	K	33.5	Very low	42.1	Very low	185 Å²	185	140 Å²	140	80%	0.804	76%	0.758	S	S	*	*			trans	-45.6	133.5	173.6	-74.9	177	171.2	-175.9	0	114.9
251	I	44.7	Very low	41.2	Very low	165 Å²	165	141.5 Å²	141.5	85%	0.846	77%	0.767	S	S	*	*			trans	-115.8	115.1	151.9	-67.2	171.9	0	0	0	106.4
252	E	33.7	Very low	40.4	Very low	161 Å²	161	140.3 Å²	140.3	75%	0.752	77%	0.771	S	S	*	*			trans	-85.7	128.1	167.3	-75	176.5	169.5	0	0	107.6
253	D	41.2	Very low	39.4	Very low	159 Å²	159	137.7 Å²	137.7	85%	0.85	77%	0.771	S	S	*	*			trans	-134.3	145.1	153.9	-147.7	-8.5	0	0	0	110.5
254	V	42	Very low	38.5	Very low	132 Å²	132	135.2 Å²	135.2	80%	0.8	77%	0.772	S	S	*	*			trans	-96.3	151.3	-147.3	176.9	0	0	0	0	111.5
255	G	34.6	Very low	37.6	Very low	66 Å²	66	137.2 Å²	137.2	68%	0.68	78%	0.778	S	S	*	*			trans	-80.3	178.1	-166.9	0	0	0	0	0	118
256	S	36.8	Very low	36.9	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	79%	0.789	S	S	*	*			trans	166.2	108.5	144.7	40.5	0	0	0	0	106.2
257	D	35.3	Very low	36.4	Very low	152 Å²	152	149 Å²	149	81%	0.813	80%	0.799	S	S	*	*				81.9	146.9	83.9	-82.2	-15.4	0	0	0	113.6
258	D	39	Very low	36.2	Very low	141 Å²	141	149.8 Å²	149.8	75%	0.754	80%	0.8	S	S	*	*			trans	90.6	95.2	171.5	-52.8	-21.1	0	0	0	116.2
259	E	36.3	Very low	36	Very low	180 Å²	180	150 Å²	150	84%	0.841	80%	0.8	S	S	*	*				105.1	129.8	60.7	-92.1	-165.2	-179.8	0	0	112.2
260	A	35.3	Very low	36.5	Very low	88 Å²	88	151.9 Å²	151.9	73%	0.727	80%	0.797	S	S	*	*			trans	64.3	138.9	152.9	0	0	0	0	0	118.9
261	E	35.6	Very low	37.3	Very low	170 Å²	170	149.6 Å²	149.6	79%	0.794	79%	0.787	S	S	*	*			cis	-167.1	135.3	19.3	-132.8	174.7	-164.1	0	0	111.5
262	T	33.5	Very low	38.1	Very low	116 Å²	116	145.3 Å²	145.3	71%	0.712	77%	0.769	S	S	*	*			trans	68.1	115.6	140	49.1	0	0	0	0	124.7
263	S	31.2	Very low	39.9	Very low	109 Å²	109	140.3 Å²	140.3	76%	0.762	75%	0.749	S	S	*	*				93.8	104.6	128.4	78.7	0	0	0	0	119.4
264	S	31.5	Very low	41.6	Very low	114 Å²	114	139.1 Å²	139.1	80%	0.797	74%	0.736	S	S	*	*				156.7	127.9	111.1	57	0	0	0	0	114.4
265	K	32.6	Very low	43.4	Very low	203 Å²	203	136.1 Å²	136.1	88%	0.883	71%	0.713	S	S	*	*			trans	63.5	92.4	156.8	-68.8	177.1	177	172.9	0	119	K267	K265-K267 PolarHBondContact O-N 2.94Å
266	E	30.4	Very low	45.7	Very low	202 Å²	202	139.8 Å²	139.8	94%	0.944	71%	0.711	S	S	*	*			trans	-65	109.5	158	-76.1	-178.9	146.2	0	0	111.5
267	K	34.2	Very low	48	Very low	195 Å²	195	138.2 Å²	138.2	85%	0.848	69%	0.688	S	S	*	*			trans	-91.4	112.1	151.6	-94.7	-180	172.6	178.6	0	106.9	K265 K269	K265-K267 PolarHBondContact O-N 2.94Å; K267-K269 PolarHBondContact O-N 3.42Å
268	K	36.2	Very low	50.4	Low	184 Å²	184	135.1 Å²	135.1	80%	0.8	68%	0.675	S	S	*	*			trans	-51.5	107	166.4	-84.7	-170.6	170.5	-163.2	0	109.1	D230 K270	D230-K268 IonicContact OD2-NZ 2.7Å; K268-K270 PolarHBondContact O-N 3.33Å
269	K	41.4	Very low	52.9	Low	199 Å²	199	131.9 Å²	131.9	87%	0.865	66%	0.656	S	S	*	*			trans	-78.3	109.1	166.2	-88	-179.3	173.7	178	0	107.3	K267	K267-K269 PolarHBondContact O-N 3.42Å
270	K	47.1	Very low	55.5	Low	158 Å²	158	127 Å²	127	69%	0.687	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-61.8	133.4	166.8	-69.7	176.8	164.5	-168.9	0	109.2	E227 K268	E227-K270 WeakPolarHBondContact OE2-CD 3.16Å; E227-K270 IonicContact OE2-NZ 3.4Å; E227-K270 PolarHBondContact OE2-NZ 2.68Å; K268-K270 PolarHBondContact O-N 3.33Å
271	K	50.1	Low	58.3	Low	137 Å²	137	125.1 Å²	125.1	60%	0.596	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-90	138.3	174.3	-65.9	-178.1	-162.4	150.4	0	109.9	E233	E233-K271 IonicContact OE1-NZ 2.79Å; E233-K271 PolarHBondContact OE1-NZ 3.47Å
272	T	63.1	Low	61	Low	76 Å²	76	119.5 Å²	119.5	47%	0.466	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.5	144.3	174	49.2	0	0	0	0	110	D225 K226 E227	D225-T272 HydrophobicContact CB-CG2 4.33Å; K226-T272 WeakPolarHBondContact O-CA 3.42Å; E227-T272 HydrophobicContact CG-CG2 4.03Å
273	V	70.2	Confident	63.7	Low	56 Å²	56	115.9 Å²	115.9	34%	0.339	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.4	136.3	171.6	172.4	0	0	0	0	109.6	K226 I228 E275	K226-V273 PolarHBondContact N-O 2.93Å; K226-V273 PolarHBondContact O-N 3.28Å; I228-V273 HydrophobicContact CD1-CB 3.5Å; I228-V273 HydrophobicContact CD1-CG1 4.23Å; I228-V273 HydrophobicContact CD1-CG2 3.2Å; I228-V273 HydrophobicContact CG1-CB 4.01Å; I228-V273 HydrophobicContact CG1-CG2 3.91Å; V273-E275 PolarHBondContact O-N 3.36Å
274	K	77.3	Confident	66.4	Low	134 Å²	134	111.5 Å²	111.5	58%	0.583	53%	0.53	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	115.4	175.5	-67.9	179.8	156.4	-148.8	0	110.6	E223 R224 D225	E223-K274 WeakPolarHBondContact OE2-CD 3.45Å; E223-K274 IonicContact OE2-NZ 3.72Å; E223-K274 PolarHBondContact OE2-NZ 3.22Å; R224-K274 CarbonylContact O-C 3.54Å; R224-K274 WeakPolarHBondContact O-CA 3.38Å; D225-K274 WeakPolarHBondContact OD1-CG 3.23Å
275	E	80.5	Confident	69	Low	69 Å²	69	113.4 Å²	113.4	32%	0.322	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	126.5	173	-174.8	-172.3	-178.4	0	0	109.2	E223 R224 V273	E223-E275 WeakPolarHBondContact CA-O 3.06Å; R224-E275 HydrophobicContact CG-CB 4.17Å; R224-E275 IonicContact CZ-OE2 3.48Å; R224-E275 VanDerWaalsContact CZ-OE2 3.23Å; R224-E275 PolarHBondContact N-O 2.54Å; R224-E275 IonicContact NE-OE2 3.9Å; R224-E275 PolarHBondContact NE-OE2 2.72Å; R224-E275 VanDerWaalsContact NH2-CD 3.26Å; R224-E275 IonicContact NH2-OE1 2.66Å; R224-E275 PolarHBondContact NH2-OE1 3.3Å; R224-E275 VanDerWaalsContact NH2-OE1 3.08Å; R224-E275 IonicContact NH2-OE2 3.92Å; R224-E275 PolarHBondContact NH2-OE2 2.96Å; R224-E275 PolarHBondContact O-N 2.94Å; V273-E275 PolarHBondContact O-N 3.36Å
276	K	81.5	Confident	71.4	Confident	143 Å²	143	105.4 Å²	105.4	62%	0.622	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	131.2	173.3	-70.4	-175.9	178.1	-173	0	110	K222 E223	K222-K276 CarbonylContact O-C 3.57Å; K222-K276 WeakPolarHBondContact O-CA 3.21Å; E223-K276 HydrophobicContact CG-CG 4.05Å
277	Y	85.6	Confident	74	Confident	76 Å²	76	103.7 Å²	103.7	30%	0.298	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	157	173.7	67.7	-80.7	0	0	0	110.3	K222 R224 E279	K222-Y277 HydrophobicContact CB-CD1 4.25Å; K222-Y277 HydrophobicContact CB-CD2 4.49Å; K222-Y277 HydrophobicContact CB-CE1 3.64Å; K222-Y277 HydrophobicContact CB-CE2 3.93Å; K222-Y277 VanDerWaalsContact CB-CZ 3.46Å; K222-Y277 HydrophobicContact CD-CE2 4.24Å; K222-Y277 WeakPolarHBondContact CD-OH 3.39Å; K222-Y277 PolarHBondContact N-O 2.91Å; K222-Y277 WeakPolarHBondContact O-CD1 3.25Å; K222-Y277 PolarHBondContact O-N 2.99Å; R224-Y277 HydrophobicContact CB-CD1 4.33Å; R224-Y277 HydrophobicContact CB-CE1 3.82Å; R224-Y277 HydrophobicContact CG-CD1 3.95Å; R224-Y277 HydrophobicContact CG-CE1 3.94Å; Y277-E279 HydrophobicContact CE2-CB 4.18Å
278	T	85.7	Confident	76.6	Confident	87 Å²	87	95.4 Å²	95.4	53%	0.534	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	140.5	174.7	50	0	0	0	0	110.9	V220 E221	V220-T278 VanDerWaalsContact O-CA 3.3Å; V220-T278 WeakPolarHBondContact O-CA 3.5Å; E221-T278 HydrophobicContact CG-CG2 4.13Å
279	E	91.1	Very high	79.2	Confident	74 Å²	74	87.2 Å²	87.2	35%	0.346	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	147.9	176.9	-170.4	-175.4	138.2	0	0	109.9	V220 K222 Y277	V220-E279 HydrophobicContact CG2-CB 4.31Å; V220-E279 WeakPolarHBondContact CG2-O 3.48Å; V220-E279 PolarHBondContact N-O 3.1Å; V220-E279 PolarHBondContact O-N 2.72Å; K222-E279 HydrophobicContact CD-CB 4.42Å; K222-E279 VanDerWaalsContact CD-OE2 3.3Å; K222-E279 WeakPolarHBondContact CD-OE2 3.32Å; K222-E279 WeakPolarHBondContact CE-OE2 3.49Å; K222-E279 IonicContact NZ-OE1 3.66Å; K222-E279 PolarHBondContact NZ-OE1 3.14Å; K222-E279 IonicContact NZ-OE2 2.74Å; K222-E279 PolarHBondContact NZ-OE2 3.32Å; Y277-E279 HydrophobicContact CE2-CB 4.18Å
280	E	92	Very high	81.7	Confident	78 Å²	78	77.9 Å²	77.9	36%	0.364	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	107.6	171.7	-63.7	-172.5	169.3	0	0	110.3	K77 K217 L219	K77-E280 WeakPolarHBondContact CE-OE1 3.26Å; K77-E280 IonicContact NZ-OE1 2.66Å; K77-E280 PolarHBondContact NZ-OE1 2.89Å; K217-E280 HydrophobicContact CB-CB 4.49Å; K217-E280 VanDerWaalsContact CD-OE2 3.3Å; K217-E280 WeakPolarHBondContact CD-OE2 3.27Å; K217-E280 IonicContact NZ-OE2 3.56Å; L219-E280 HydrophobicContact CD1-CG 4.16Å
281	E	92.7	Very high	83.7	Confident	48 Å²	48	73 Å²	73	22%	0.224	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	124.7	177.9	-172.2	-178.6	154.9	0	0	111.1	K202 K217 L218 V220 L283	K202-E281 WeakPolarHBondContact CE-OE2 3.48Å; K202-E281 VanDerWaalsContact NZ-CD 3.27Å; K202-E281 IonicContact NZ-OE1 2.8Å; K202-E281 PolarHBondContact NZ-OE1 2.9Å; K202-E281 IonicContact NZ-OE2 3.47Å; K202-E281 PolarHBondContact NZ-OE2 3.01Å; K217-E281 CarbonylContact C-O 3.52Å; K217-E281 WeakPolarHBondContact CA-O 3.5Å; L218-E281 PolarHBondContact N-O 2.96Å; L218-E281 PolarHBondContact O-N 3.47Å; V220-E281 HydrophobicContact CG2-CB 4.28Å; E281-L283 HydrophobicContact CG-CD2 4.17Å
282	V	92.3	Very high	85.7	Confident	52 Å²	52	70.6 Å²	70.6	32%	0.315	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	120.6	172.9	-178.7	0	0	0	0	110.1	P215 I216 K217 K285	P215-V282 HydrophobicContact CB-CG1 4.34Å; I216-V282 WeakPolarHBondContact O-CA 3.31Å; K217-V282 HydrophobicContact CG-CG2 4.31Å; V282-K285 HydrophobicContact CG1-CG 4.33Å; V282-K285 WeakPolarHBondContact O-CE 3.45Å
283	L	91	Very high	87.1	Confident	40 Å²	40	70.9 Å²	70.9	21%	0.209	34%	0.342	C	S	.	.			trans	-91.8	-34.8	-172.5	-61.1	-177	0	0	0	114	K202 I205 I216 L218 E281 K285	K202-L283 HydrophobicContact CD-CD2 4.3Å; K202-L283 HydrophobicContact CG-CD1 4.3Å; K202-L283 HydrophobicContact CG-CD2 3.9Å; I205-L283 HydrophobicContact CB-CD1 4.21Å; I205-L283 HydrophobicContact CD1-CD1 3.35Å; I205-L283 HydrophobicContact CG1-CD1 4.38Å; I205-L283 HydrophobicContact CG2-CB 3.94Å; I205-L283 HydrophobicContact CG2-CD1 4.04Å; I216-L283 PolarHBondContact O-N 3Å; L218-L283 HydrophobicContact CB-CD1 3.76Å; L218-L283 HydrophobicContact CB-CD2 4.39Å; L218-L283 HydrophobicContact CB-CG 4.11Å; L218-L283 HydrophobicContact CD2-CD1 4.08Å; E281-L283 HydrophobicContact CG-CD2 4.17Å; L283-K285 PolarHBondContact O-N 2.7Å
284	N	88.9	Confident	88.1	Confident	16 Å²	16	70.7 Å²	70.7	9%	0.086	34%	0.343	C	S	.	.			trans	-95	55.7	-177.1	64.9	-33.6	0	0	0	112.6	Q210 I212 Y214 I216 T286	Q210-N284 WeakPolarHBondContact O-CB 3.44Å; I212-N284 PolarHBondContact O-ND2 2.89Å; Y214-N284 PolarHBondContact O-ND2 3.41Å; I216-N284 HydrophobicContact CD1-CB 4.38Å; I216-N284 PolarHBondContact N-OD1 2.87Å; N284-T286 VanDerWaalsContact C-N 3.26Å; N284-T286 PolarHBondContact O-N 3.4Å
285	K	85.5	Confident	88.8	Confident	155 Å²	155	71.2 Å²	71.2	67%	0.674	35%	0.352	S	S	*	.			trans	-68	-25.7	179.4	-61.4	-179.3	-175.7	175.4	0	113.1	V282 L283 K287	V282-K285 HydrophobicContact CG1-CG 4.33Å; V282-K285 WeakPolarHBondContact O-CE 3.45Å; L283-K285 PolarHBondContact O-N 2.7Å; K285-K287 PolarHBondContact O-N 3.4Å
286	T	81.7	Confident	89.4	Confident	34 Å²	34	74 Å²	74	21%	0.209	37%	0.365	C	S	.	.	S	Bend	trans	-77.1	111.1	-178.4	-47	0	0	0	0	110.5	Q210 F211 N284 F305 S308	Q210-T286 PolarHBondContact NE2-OG1 3.17Å; F211-T286 HydrophobicContact CE1-CG2 3.9Å; N284-T286 VanDerWaalsContact C-N 3.26Å; N284-T286 PolarHBondContact O-N 3.4Å; T286-F305 HydrophobicContact CG2-CD2 3.83Å; T286-F305 HydrophobicContact CG2-CE2 4.24Å; T286-S308 PolarHBondContact OG1-OG 2.94Å
287	K	85.6	Confident	90.1	Very high	166 Å²	166	68 Å²	68	72%	0.722	34%	0.339	S	S	*	.			trans	-77.7	146	177.1	-64	-175.3	179.7	-178.5	0	111	K285 I289	K285-K287 PolarHBondContact O-N 3.4Å; K287-I289 PolarHBondContact O-N 3.46Å; K287-I289 VanDerWaalsContact O-N 3.14Å
288	P	88.3	Confident	90.5	Very high	21 Å²	21	67.5 Å²	67.5	14%	0.136	34%	0.344	C	S	.	.			trans	-67.4	111.4	174.1	27.5	-32.9	0	0	0	109.4	F211 W290 T291	F211-P288 HydrophobicContact CB-CB 4.32Å; F211-P288 HydrophobicContact CD1-CB 4.2Å; P288-W290 HydrophobicContact CB-CD2 4.09Å; P288-W290 HydrophobicContact CB-CE3 4.17Å; P288-W290 HydrophobicContact CB-CH2 3.74Å; P288-W290 HydrophobicContact CB-CZ2 3.6Å; P288-W290 HydrophobicContact CB-CZ3 3.98Å; P288-T291 HydrophobicContact CB-CG2 4.08Å; P288-T291 HydrophobicContact CG-CG2 4.18Å; P288-T291 PolarHBondContact O-OG1 2.92Å
289	I	92.2	Very high	90.9	Very high	13 Å²	13	67.6 Å²	67.6	7%	0.067	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-77.4	-30	-176	-62.9	-163.5	0	0	0	111.7	K287 T291 R292 I297 E301 Y302 F305 L333	K287-I289 PolarHBondContact O-N 3.46Å; K287-I289 VanDerWaalsContact O-N 3.14Å; I289-T291 PolarHBondContact O-N 2.98Å; I289-T291 VanDerWaalsContact O-N 3.13Å; I289-R292 PolarHBondContact O-N 3.39Å; I289-R292 VanDerWaalsContact O-N 3.15Å; I289-I297 HydrophobicContact CG2-CB 4.45Å; I289-I297 HydrophobicContact CG2-CD1 3.42Å; I289-I297 VanDerWaalsContact CG2-CD1 3.42Å; I289-I297 HydrophobicContact CG2-CG1 3.95Å; I289-I297 HydrophobicContact CG2-CG2 3.71Å; I289-I297 WeakPolarHBondContact O-CD1 3.24Å; I289-E301 HydrophobicContact CD1-CB 4.28Å; I289-E301 VanDerWaalsContact CD1-O 3.31Å; I289-E301 WeakPolarHBondContact CD1-O 3.5Å; I289-Y302 HydrophobicContact CG2-CD1 4.08Å; I289-Y302 HydrophobicContact CG2-CE1 3.76Å; I289-F305 HydrophobicContact CB-CD2 4.33Å; I289-F305 HydrophobicContact CD1-CB 3.34Å; I289-F305 HydrophobicContact CD1-CD2 3.96Å; I289-F305 HydrophobicContact CD1-CG 3.81Å; I289-F305 HydrophobicContact CG1-CB 4.13Å; I289-F305 HydrophobicContact CG1-CD2 3.75Å; I289-F305 HydrophobicContact CG1-CE2 4.48Å; I289-F305 HydrophobicContact CG1-CG 4.07Å; I289-L333 HydrophobicContact CB-CD1 4.06Å; I289-L333 HydrophobicContact CG2-CD1 4.29Å
290	W	92.9	Very high	91.1	Very high	2 Å²	2	70.5 Å²	70.5	1%	0.008	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-67.4	-12.6	-178.4	62.7	87.4	0	0	0	114.4	F211 P288 F305 H321 R331 L333 R360 V381 D383	F211-W290 HydrophobicContact CB-CH2 4.03Å; F211-W290 HydrophobicContact CB-CZ2 4.35Å; F211-W290 AromaticContact CD1-CH2 3.77Å; F211-W290 HydrophobicContact CD1-CH2 3.77Å; F211-W290 HydrophobicContact CD1-CZ3 4.14Å; F211-W290 AromaticContact CD2-CH2 3.47Å; F211-W290 HydrophobicContact CD2-CH2 3.47Å; F211-W290 VanDerWaalsContact CD2-CH2 3.47Å; F211-W290 HydrophobicContact CD2-CZ2 4.38Å; F211-W290 HydrophobicContact CD2-CZ3 4.28Å; F211-W290 HydrophobicContact CE1-CH2 4.04Å; F211-W290 HydrophobicContact CE1-CZ3 4.01Å; F211-W290 AromaticContact CE2-CH2 3.72Å; F211-W290 HydrophobicContact CE2-CH2 3.72Å; F211-W290 HydrophobicContact CE2-CZ3 4.12Å; F211-W290 AromaticContact CG-CH2 3.47Å; F211-W290 HydrophobicContact CG-CH2 3.47Å; F211-W290 VanDerWaalsContact CG-CH2 3.47Å; F211-W290 HydrophobicContact CG-CZ2 4.25Å; F211-W290 HydrophobicContact CG-CZ3 4.26Å; F211-W290 AromaticContact CZ-CH2 3.99Å; F211-W290 HydrophobicContact CZ-CH2 3.99Å; F211-W290 AromaticContact CZ-CZ3 3.98Å; F211-W290 HydrophobicContact CZ-CZ3 3.98Å; P288-W290 HydrophobicContact CB-CD2 4.09Å; P288-W290 HydrophobicContact CB-CE3 4.17Å; P288-W290 HydrophobicContact CB-CH2 3.74Å; P288-W290 HydrophobicContact CB-CZ2 3.6Å; P288-W290 HydrophobicContact CB-CZ3 3.98Å; W290-F305 HydrophobicContact CE3-CE2 4.25Å; W290-F305 AromaticContact CE3-CZ 3.98Å; W290-F305 HydrophobicContact CE3-CZ 3.98Å; W290-F305 AromaticContact CZ3-CE2 3.74Å; W290-F305 HydrophobicContact CZ3-CE2 3.74Å; W290-F305 AromaticContact CZ3-CZ 3.58Å; W290-F305 HydrophobicContact CZ3-CZ 3.58Å; W290-H321 WeakPolarHBondContact CA-NE2 3.06Å; W290-H321 PolarHBondContact O-NE2 2.86Å; W290-R331 HydrophobicContact CB-CB 4.3Å; W290-R331 WeakPolarHBondContact O-CD 3.36Å; W290-R331 PolarHBondContact O-NH1 3.06Å; W290-L333 HydrophobicContact CB-CD1 4.05Å; W290-L333 HydrophobicContact CB-CG 4.03Å; W290-L333 HydrophobicContact CE3-CD1 4.17Å; W290-R360 HydrophobicContact CZ2-CG 4.43Å; W290-V381 HydrophobicContact CD2-CG1 4.27Å; W290-V381 HydrophobicContact CE3-CB 4.4Å; W290-V381 HydrophobicContact CE3-CG1 3.96Å; W290-V381 HydrophobicContact CH2-CG1 3.83Å; W290-V381 HydrophobicContact CZ2-CG1 4.17Å; W290-V381 HydrophobicContact CZ3-CB 4.3Å; W290-V381 HydrophobicContact CZ3-CG1 3.76Å; W290-V381 HydrophobicContact CZ3-CG2 4.35Å; W290-D383 HydrophobicContact CZ2-CB 4.14Å; W290-D383 PolarHBondContact NE1-OD2 2.68Å
291	T	89.7	Confident	91.2	Very high	57 Å²	57	69.7 Å²	69.7	35%	0.35	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-82.4	-19.8	177	60.2	0	0	0	0	112.5	P288 I289 R331	P288-T291 HydrophobicContact CB-CG2 4.08Å; P288-T291 HydrophobicContact CG-CG2 4.18Å; P288-T291 PolarHBondContact O-OG1 2.92Å; I289-T291 PolarHBondContact O-N 2.98Å; I289-T291 VanDerWaalsContact O-N 3.13Å; T291-R331 VanDerWaalsContact C-NH1 3.29Å; T291-R331 PolarHBondContact O-NH1 3.35Å
292	R	92.3	Very high	91.4	Very high	85 Å²	85	68.2 Å²	68.2	32%	0.321	34%	0.344	S	S	.	.	S	Bend	trans	-85.1	160.1	177	-70.3	166.5	58.6	-172.3	-2.2	111.1	I289 E296 I297 E301 H321	I289-R292 PolarHBondContact O-N 3.39Å; I289-R292 VanDerWaalsContact O-N 3.15Å; R292-E296 PolarHBondContact NH2-O 3.34Å; R292-I297 HydrophobicContact CB-CD1 3.94Å; R292-I297 HydrophobicContact CB-CG1 4.1Å; R292-E301 IonicContact CZ-OE1 2.7Å; R292-E301 VanDerWaalsContact CZ-OE1 3.3Å; R292-E301 IonicContact NH1-OE1 3.18Å; R292-E301 PolarHBondContact NH1-OE1 2.83Å; R292-E301 IonicContact NH2-OE1 3.68Å; R292-E301 PolarHBondContact NH2-OE1 3.42Å; R292-E301 IonicContact NH2-OE2 3.65Å; R292-E301 PolarHBondContact NH2-OE2 3.42Å; R292-H321 PolarHBondContact O-CE1 2.99Å
293	N	91.4	Very high	91.6	Very high	83 Å²	83	66 Å²	66	44%	0.444	33%	0.33	S	S	.	.			trans	-64.8	135	172	-171.3	-22.4	0	0	0	109.9	D295 E296 I297	N293-D295 PolarHBondContact O-N 3.09Å; N293-D295 PolarHBondContact OD1-N 3.16Å; N293-E296 HydrophobicContact CB-CG 4.21Å; N293-E296 PolarHBondContact O-N 3.12Å; N293-I297 WeakPolarHBondContact O-CD1 3.48Å; N293-I297 WeakPolarHBondContact O-CG1 3.26Å
294	S	92.3	Very high	91.7	Very high	52 Å²	52	66.9 Å²	66.9	36%	0.364	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-54.6	-34.5	179.1	51.4	0	0	0	0	113.2	E296 I297	S294-E296 VanDerWaalsContact C-N 3.26Å; S294-E296 PolarHBondContact O-N 3.11Å; S294-I297 PolarHBondContact O-N 3.42Å
295	D	92.5	Very high	92	Very high	144 Å²	144	66.3 Å²	66.3	77%	0.77	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-75.4	-16.9	-173.9	-59.1	-14.9	0	0	0	112.8	N293	N293-D295 PolarHBondContact O-N 3.09Å; N293-D295 PolarHBondContact OD1-N 3.16Å
296	E	93.2	Very high	92.4	Very high	129 Å²	129	59.1 Å²	59.1	60%	0.603	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-97.7	3	179.7	-62.4	177.3	-179.4	0	0	112.9	R292 N293 S294	R292-E296 PolarHBondContact NH2-O 3.34Å; N293-E296 HydrophobicContact CB-CG 4.21Å; N293-E296 PolarHBondContact O-N 3.12Å; S294-E296 VanDerWaalsContact C-N 3.26Å; S294-E296 PolarHBondContact O-N 3.11Å
297	I	94.6	Very high	92.9	Very high	15 Å²	15	61 Å²	61	8%	0.077	31%	0.314	C	S	.	.			trans	-109.5	122.7	-176.4	-58.1	155.4	0	0	0	109.1	I289 R292 N293 S294 E301 Y302	I289-I297 HydrophobicContact CG2-CB 4.45Å; I289-I297 HydrophobicContact CG2-CD1 3.42Å; I289-I297 VanDerWaalsContact CG2-CD1 3.42Å; I289-I297 HydrophobicContact CG2-CG1 3.95Å; I289-I297 HydrophobicContact CG2-CG2 3.71Å; I289-I297 WeakPolarHBondContact O-CD1 3.24Å; R292-I297 HydrophobicContact CB-CD1 3.94Å; R292-I297 HydrophobicContact CB-CG1 4.1Å; N293-I297 WeakPolarHBondContact O-CD1 3.48Å; N293-I297 WeakPolarHBondContact O-CG1 3.26Å; S294-I297 PolarHBondContact O-N 3.42Å; I297-E301 HydrophobicContact CG2-CB 3.9Å; I297-Y302 HydrophobicContact CB-CD2 4.45Å; I297-Y302 HydrophobicContact CB-CE1 4.39Å; I297-Y302 HydrophobicContact CB-CE2 3.71Å; I297-Y302 HydrophobicContact CD1-CE1 4.21Å; I297-Y302 WeakPolarHBondContact CD1-OH 3.27Å; I297-Y302 HydrophobicContact CG2-CD1 4.03Å; I297-Y302 HydrophobicContact CG2-CD2 3.66Å; I297-Y302 HydrophobicContact CG2-CE1 3.76Å; I297-Y302 HydrophobicContact CG2-CE2 3.37Å; I297-Y302 HydrophobicContact CG2-CG 3.98Å; I297-Y302 VanDerWaalsContact CG2-CZ 3.43Å
298	T	95.4	Very high	93.1	Very high	67 Å²	67	54.8 Å²	54.8	41%	0.411	29%	0.292	S	S	.	.			trans	-78.1	158.7	177.1	59.9	0	0	0	0	111.9	E300 E301 Y302	T298-E300 WeakPolarHBondContact CB-OE2 3.47Å; T298-E300 PolarHBondContact O-N 2.61Å; T298-E301 PolarHBondContact N-OE2 3.04Å; T298-E301 PolarHBondContact O-N 2.81Å; T298-E301 VanDerWaalsContact OG1-CG 3.27Å; T298-E301 WeakPolarHBondContact OG1-CG 3.12Å; T298-E301 PolarHBondContact OG1-N 3.38Å; T298-E301 PolarHBondContact OG1-OE2 3.23Å; T298-Y302 VanDerWaalsContact O-CD2 3.3Å; T298-Y302 WeakPolarHBondContact O-CD2 3.46Å; T298-Y302 PolarHBondContact O-N 2.96Å
299	N	94.4	Very high	93.1	Very high	88 Å²	88	54.3 Å²	54.3	47%	0.471	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-31.1	177.2	-171.4	62.5	0	0	0	112	E301 Y302 A303 H316	N299-E301 VanDerWaalsContact C-N 3.34Å; N299-E301 PolarHBondContact O-N 3.06Å; N299-Y302 PolarHBondContact O-N 3.29Å; N299-A303 WeakPolarHBondContact O-CB 3.15Å; N299-A303 PolarHBondContact O-N 2.88Å; N299-H316 PolarHBondContact OD1-CE1 3.08Å
300	E	94.7	Very high	92.9	Very high	136 Å²	136	55.4 Å²	55.4	64%	0.636	30%	0.296	S	S	*	.	H	α-helix	trans	-63.6	-39	174.9	-65.6	72.1	-159.2	0	0	111.8	T298 A303 A304	T298-E300 WeakPolarHBondContact CB-OE2 3.47Å; T298-E300 PolarHBondContact O-N 2.61Å; E300-A303 PolarHBondContact O-N 3.27Å; E300-A304 WeakPolarHBondContact O-CB 3.39Å; E300-A304 PolarHBondContact O-N 3.18Å
301	E	94.7	Very high	92.6	Very high	61 Å²	61	60.8 Å²	60.8	29%	0.285	33%	0.325	S	S	.	.	H	α-helix	trans	-67.4	-42.9	175.2	-73.3	172	107.7	0	0	111.6	I289 R292 I297 T298 N299 A304 F305	I289-E301 HydrophobicContact CD1-CB 4.28Å; I289-E301 VanDerWaalsContact CD1-O 3.31Å; I289-E301 WeakPolarHBondContact CD1-O 3.5Å; R292-E301 IonicContact CZ-OE1 2.7Å; R292-E301 VanDerWaalsContact CZ-OE1 3.3Å; R292-E301 IonicContact NH1-OE1 3.18Å; R292-E301 PolarHBondContact NH1-OE1 2.83Å; R292-E301 IonicContact NH2-OE1 3.68Å; R292-E301 PolarHBondContact NH2-OE1 3.42Å; R292-E301 IonicContact NH2-OE2 3.65Å; R292-E301 PolarHBondContact NH2-OE2 3.42Å; I297-E301 HydrophobicContact CG2-CB 3.9Å; T298-E301 PolarHBondContact N-OE2 3.04Å; T298-E301 PolarHBondContact O-N 2.81Å; T298-E301 VanDerWaalsContact OG1-CG 3.27Å; T298-E301 WeakPolarHBondContact OG1-CG 3.12Å; T298-E301 PolarHBondContact OG1-N 3.38Å; T298-E301 PolarHBondContact OG1-OE2 3.23Å; N299-E301 VanDerWaalsContact C-N 3.34Å; N299-E301 PolarHBondContact O-N 3.06Å; E301-A304 PolarHBondContact O-N 3.45Å; E301-F305 WeakPolarHBondContact O-CB 3.41Å; E301-F305 PolarHBondContact O-N 3.03Å
302	Y	96.3	Very high	92.7	Very high	17 Å²	17	60.1 Å²	60.1	7%	0.067	32%	0.319	C	S	.	.	H	α-helix	trans	-61.3	-43.3	173.3	-74.6	-60.1	0	0	0	112	I289 I297 T298 N299 F305 Y306 V319 H321 L333 F335	I289-Y302 HydrophobicContact CG2-CD1 4.08Å; I289-Y302 HydrophobicContact CG2-CE1 3.76Å; I297-Y302 HydrophobicContact CB-CD2 4.45Å; I297-Y302 HydrophobicContact CB-CE1 4.39Å; I297-Y302 HydrophobicContact CB-CE2 3.71Å; I297-Y302 HydrophobicContact CD1-CE1 4.21Å; I297-Y302 WeakPolarHBondContact CD1-OH 3.27Å; I297-Y302 HydrophobicContact CG2-CD1 4.03Å; I297-Y302 HydrophobicContact CG2-CD2 3.66Å; I297-Y302 HydrophobicContact CG2-CE1 3.76Å; I297-Y302 HydrophobicContact CG2-CE2 3.37Å; I297-Y302 HydrophobicContact CG2-CG 3.98Å; I297-Y302 VanDerWaalsContact CG2-CZ 3.43Å; T298-Y302 VanDerWaalsContact O-CD2 3.3Å; T298-Y302 WeakPolarHBondContact O-CD2 3.46Å; T298-Y302 PolarHBondContact O-N 2.96Å; N299-Y302 PolarHBondContact O-N 3.29Å; Y302-F305 PolarHBondContact O-N 3.48Å; Y302-Y306 WeakPolarHBondContact O-CB 3.4Å; Y302-Y306 PolarHBondContact O-N 2.84Å; Y302-V319 HydrophobicContact CD1-CG2 4.01Å; Y302-V319 HydrophobicContact CD2-CG1 4.21Å; Y302-V319 HydrophobicContact CE1-CG2 4.4Å; Y302-V319 HydrophobicContact CG-CG1 4.21Å; Y302-V319 HydrophobicContact CG-CG2 4.28Å; Y302-H321 HydrophobicContact CE1-CB 4.39Å; Y302-H321 AromaticContact CZ-ND1 3.9Å; Y302-H321 PolarHBondContact OH-ND1 3.36Å; Y302-L333 HydrophobicContact CD1-CD2 4.25Å; Y302-L333 HydrophobicContact CE1-CD2 3.62Å; Y302-F335 HydrophobicContact CD1-CZ 4.46Å
303	A	95.5	Very high	92.7	Very high	4 Å²	4	65 Å²	65	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-63.2	-46.1	177.4	0	0	0	0	0	111.8	N299 E300 F305 Y306 K307 D315	N299-A303 WeakPolarHBondContact O-CB 3.15Å; N299-A303 PolarHBondContact O-N 2.88Å; E300-A303 PolarHBondContact O-N 3.27Å; A303-F305 VanDerWaalsContact C-N 3.31Å; A303-F305 PolarHBondContact O-N 3.14Å; A303-Y306 PolarHBondContact O-N 3.32Å; A303-K307 WeakPolarHBondContact O-CG 3.33Å; A303-K307 PolarHBondContact O-N 3.02Å; A303-D315 HydrophobicContact CB-CB 4.14Å
304	A	93.9	Very high	92.8	Very high	60 Å²	60	62.4 Å²	62.4	50%	0.496	32%	0.323	S	S	.	.	H	α-helix	trans	-60.6	-41	176.4	0	0	0	0	0	112	E300 E301 S308	E300-A304 WeakPolarHBondContact O-CB 3.39Å; E300-A304 PolarHBondContact O-N 3.18Å; E301-A304 PolarHBondContact O-N 3.45Å; A304-S308 WeakPolarHBondContact O-CB 3.44Å; A304-S308 PolarHBondContact O-N 3.12Å
305	F	94.1	Very high	93	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-43.9	175.1	177.1	-87.7	0	0	0	112.7	F211 T286 I289 W290 E301 Y302 A303 K307 S308 L309 L333 F335 V381	F211-F305 HydrophobicContact CE1-CD2 4.48Å; F211-F305 AromaticContact CE1-CE2 3.58Å; F211-F305 HydrophobicContact CE1-CE2 3.58Å; F211-F305 HydrophobicContact CE1-CZ 4.32Å; F211-F305 AromaticContact CZ-CE2 3.7Å; F211-F305 HydrophobicContact CZ-CE2 3.7Å; F211-F305 HydrophobicContact CZ-CZ 4.01Å; T286-F305 HydrophobicContact CG2-CD2 3.83Å; T286-F305 HydrophobicContact CG2-CE2 4.24Å; I289-F305 HydrophobicContact CB-CD2 4.33Å; I289-F305 HydrophobicContact CD1-CB 3.34Å; I289-F305 HydrophobicContact CD1-CD2 3.96Å; I289-F305 HydrophobicContact CD1-CG 3.81Å; I289-F305 HydrophobicContact CG1-CB 4.13Å; I289-F305 HydrophobicContact CG1-CD2 3.75Å; I289-F305 HydrophobicContact CG1-CE2 4.48Å; I289-F305 HydrophobicContact CG1-CG 4.07Å; W290-F305 HydrophobicContact CE3-CE2 4.25Å; W290-F305 AromaticContact CE3-CZ 3.98Å; W290-F305 HydrophobicContact CE3-CZ 3.98Å; W290-F305 AromaticContact CZ3-CE2 3.74Å; W290-F305 HydrophobicContact CZ3-CE2 3.74Å; W290-F305 AromaticContact CZ3-CZ 3.58Å; W290-F305 HydrophobicContact CZ3-CZ 3.58Å; E301-F305 WeakPolarHBondContact O-CB 3.41Å; E301-F305 PolarHBondContact O-N 3.03Å; Y302-F305 PolarHBondContact O-N 3.48Å; A303-F305 VanDerWaalsContact C-N 3.31Å; A303-F305 PolarHBondContact O-N 3.14Å; F305-K307 PolarHBondContact O-N 3.27Å; F305-S308 PolarHBondContact O-N 2.96Å; F305-L309 HydrophobicContact CE1-CB 4.38Å; F305-L309 HydrophobicContact CE1-CD2 4.02Å; F305-L309 VanDerWaalsContact O-CB 3.31Å; F305-L309 WeakPolarHBondContact O-CB 3.13Å; F305-L309 PolarHBondContact O-N 3.02Å; F305-L333 HydrophobicContact CD1-CD1 4.3Å; F305-L333 HydrophobicContact CE1-CD1 3.95Å; F305-L333 HydrophobicContact CZ-CD1 4.34Å; F305-F335 AromaticContact CD1-CE2 3.91Å; F305-F335 HydrophobicContact CD1-CE2 3.91Å; F305-F335 AromaticContact CD1-CZ 3.7Å; F305-F335 HydrophobicContact CD1-CZ 3.7Å; F305-F335 AromaticContact CE1-CE2 3.9Å; F305-F335 HydrophobicContact CE1-CE2 3.9Å; F305-F335 HydrophobicContact CE1-CZ 4.14Å; F305-V381 HydrophobicContact CE1-CG2 4.41Å; F305-V381 HydrophobicContact CZ-CG2 4.07Å
306	Y	94.8	Very high	93.2	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.016	29%	0.285	C	S	.	.	H	α-helix	trans	-54.9	-51.7	175	169.1	-101.1	0	0	0	111	Y302 A303 S308 L309 T310 D312 E314 H316 F335 P337 K379	Y302-Y306 WeakPolarHBondContact O-CB 3.4Å; Y302-Y306 PolarHBondContact O-N 2.84Å; A303-Y306 PolarHBondContact O-N 3.32Å; Y306-S308 VanDerWaalsContact C-N 3.31Å; Y306-S308 PolarHBondContact O-N 3.38Å; Y306-L309 WeakPolarHBondContact O-CB 3.12Å; Y306-L309 PolarHBondContact O-N 3.44Å; Y306-L309 VanDerWaalsContact O-N 3.1Å; Y306-T310 HydrophobicContact CD2-CG2 3.86Å; Y306-T310 HydrophobicContact CE2-CG2 3.62Å; Y306-T310 PolarHBondContact O-N 3.39Å; Y306-T310 PolarHBondContact O-OG1 3.32Å; Y306-D312 HydrophobicContact CE1-CB 3.65Å; Y306-D312 WeakPolarHBondContact CE1-OD2 3.32Å; Y306-D312 PolarHBondContact OH-OD2 3.21Å; Y306-E314 WeakPolarHBondContact CE1-O 3.46Å; Y306-H316 HydrophobicContact CD1-CB 4.06Å; Y306-H316 HydrophobicContact CD2-CB 4.02Å; Y306-H316 HydrophobicContact CE1-CB 4.3Å; Y306-H316 HydrophobicContact CE2-CB 4.25Å; Y306-H316 HydrophobicContact CG-CB 3.92Å; Y306-F335 HydrophobicContact CD2-CB 3.62Å; Y306-F335 AromaticContact CD2-CD1 3.91Å; Y306-F335 HydrophobicContact CD2-CD1 3.91Å; Y306-F335 HydrophobicContact CD2-CD2 4.29Å; Y306-F335 AromaticContact CD2-CG 3.69Å; Y306-F335 HydrophobicContact CD2-CG 3.69Å; Y306-F335 HydrophobicContact CE2-CB 3.94Å; Y306-F335 HydrophobicContact CE2-CG 4.49Å; Y306-F335 HydrophobicContact CG-CD1 4.25Å; Y306-F335 HydrophobicContact CG-CG 4.45Å; Y306-P337 WeakPolarHBondContact OH-CB 3.27Å; Y306-K379 HydrophobicContact CE2-CB 4.3Å; Y306-K379 HydrophobicContact CE2-CG 4.32Å
307	K	92.9	Very high	93.4	Very high	72 Å²	72	50.9 Å²	50.9	31%	0.313	26%	0.261	S	S	.	.	H	α-helix	trans	-58.2	-42.8	177.3	-66.8	-177	-177.8	175.9	0	112.3	A303 F305 L309 N311 D312 W313 E314 D315	A303-K307 WeakPolarHBondContact O-CG 3.33Å; A303-K307 PolarHBondContact O-N 3.02Å; F305-K307 PolarHBondContact O-N 3.27Å; K307-L309 VanDerWaalsContact C-N 3.33Å; K307-L309 PolarHBondContact O-N 3.47Å; K307-N311 VanDerWaalsContact O-CA 3.22Å; K307-N311 WeakPolarHBondContact O-CA 3.22Å; K307-N311 PolarHBondContact O-N 3.22Å; K307-D312 WeakPolarHBondContact CA-O 3.41Å; K307-D312 WeakPolarHBondContact CB-O 3.42Å; K307-D312 VanDerWaalsContact CG-O 3.26Å; K307-D312 WeakPolarHBondContact CG-O 3.37Å; K307-W313 WeakPolarHBondContact CE-O 3.34Å; K307-W313 PolarHBondContact NZ-O 3.14Å; K307-E314 VanDerWaalsContact CE-C 3.47Å; K307-E314 WeakPolarHBondContact CE-O 3.42Å; K307-D315 WeakPolarHBondContact CE-OD1 3.48Å; K307-D315 IonicContact NZ-OD1 2.65Å; K307-D315 PolarHBondContact NZ-OD1 3.16Å
308	S	88.7	Confident	93.5	Very high	36 Å²	36	50.7 Å²	50.7	25%	0.252	26%	0.261	S	S	.	.	H	α-helix	trans	-64.6	-36.6	176.8	-177.5	0	0	0	0	112.8	Q210 T286 A304 F305 Y306	Q210-S308 PolarHBondContact NE2-OG 3.3Å; T286-S308 PolarHBondContact OG1-OG 2.94Å; A304-S308 WeakPolarHBondContact O-CB 3.44Å; A304-S308 PolarHBondContact O-N 3.12Å; F305-S308 PolarHBondContact O-N 2.96Å; Y306-S308 VanDerWaalsContact C-N 3.31Å; Y306-S308 PolarHBondContact O-N 3.38Å
309	L	88.8	Confident	93.6	Very high	12 Å²	12	49 Å²	49	6%	0.063	25%	0.251	C	S	.	.	H	α-helix	trans	-74	-44.4	-178.6	178.9	68.7	0	0	0	112.3	F305 Y306 K307 K355 V381	F305-L309 HydrophobicContact CE1-CB 4.38Å; F305-L309 HydrophobicContact CE1-CD2 4.02Å; F305-L309 VanDerWaalsContact O-CB 3.31Å; F305-L309 WeakPolarHBondContact O-CB 3.13Å; F305-L309 PolarHBondContact O-N 3.02Å; Y306-L309 WeakPolarHBondContact O-CB 3.12Å; Y306-L309 PolarHBondContact O-N 3.44Å; Y306-L309 VanDerWaalsContact O-N 3.1Å; K307-L309 VanDerWaalsContact C-N 3.33Å; K307-L309 PolarHBondContact O-N 3.47Å; L309-K355 HydrophobicContact CD1-CD 3.98Å; L309-V381 HydrophobicContact CD1-CG2 3.76Å; L309-V381 HydrophobicContact CD2-CG2 3.92Å
310	T	88.1	Confident	93.7	Very high	36 Å²	36	46.5 Å²	46.5	22%	0.221	24%	0.236	C	C	.	.	H	α-helix	trans	-100.8	-15.7	-169.5	63.1	0	0	0	0	113.7	Y306 D312 K379	Y306-T310 HydrophobicContact CD2-CG2 3.86Å; Y306-T310 HydrophobicContact CE2-CG2 3.62Å; Y306-T310 PolarHBondContact O-N 3.39Å; Y306-T310 PolarHBondContact O-OG1 3.32Å; T310-D312 PolarHBondContact O-N 3.32Å; T310-D312 WeakPolarHBondContact OG1-CB 3.36Å; T310-D312 PolarHBondContact OG1-N 3.47Å; T310-D312 VanDerWaalsContact OG1-N 3.13Å; T310-K379 HydrophobicContact CG2-CB 3.84Å; T310-K379 HydrophobicContact CG2-CD 3.82Å; T310-K379 HydrophobicContact CG2-CG 3.86Å
311	N	86.9	Confident	93.8	Very high	115 Å²	115	41.8 Å²	41.8	62%	0.615	21%	0.214	S	C	*	.			trans	58.1	23.2	-165	-43.2	-71.5	0	0	0	113.3	K206 K307	K206-N311 PolarHBondContact NZ-OD1 3.27Å; K307-N311 VanDerWaalsContact O-CA 3.22Å; K307-N311 WeakPolarHBondContact O-CA 3.22Å; K307-N311 PolarHBondContact O-N 3.22Å
312	D	91.5	Very high	93.9	Very high	42 Å²	42	39.6 Å²	39.6	23%	0.225	20%	0.204	C	C	.	.			trans	-74.2	143.3	167.4	-165.5	-9	0	0	0	109.5	Y306 K307 T310 E314	Y306-D312 HydrophobicContact CE1-CB 3.65Å; Y306-D312 WeakPolarHBondContact CE1-OD2 3.32Å; Y306-D312 PolarHBondContact OH-OD2 3.21Å; K307-D312 WeakPolarHBondContact CA-O 3.41Å; K307-D312 WeakPolarHBondContact CB-O 3.42Å; K307-D312 VanDerWaalsContact CG-O 3.26Å; K307-D312 WeakPolarHBondContact CG-O 3.37Å; T310-D312 PolarHBondContact O-N 3.32Å; T310-D312 WeakPolarHBondContact OG1-CB 3.36Å; T310-D312 PolarHBondContact OG1-N 3.47Å; T310-D312 VanDerWaalsContact OG1-N 3.13Å; D312-E314 PolarHBondContact OD1-N 3.01Å
313	W	91.7	Very high	93.8	Very high	188 Å²	188	41.9 Å²	41.9	71%	0.712	22%	0.222	S	C	*	.	S	Bend	trans	-91.9	-21.9	176.9	60.6	-87.5	0	0	0	111.7	K307	K307-W313 WeakPolarHBondContact CE-O 3.34Å; K307-W313 PolarHBondContact NZ-O 3.14Å
314	E	94.4	Very high	93.7	Very high	29 Å²	29	43.1 Å²	43.1	14%	0.136	23%	0.229	C	C	.	.	S	Bend	trans	-83	156.9	172.4	-67.2	-167.3	160.5	0	0	111.5	Y306 K307 D312 R339	Y306-E314 WeakPolarHBondContact CE1-O 3.46Å; K307-E314 VanDerWaalsContact CE-C 3.47Å; K307-E314 WeakPolarHBondContact CE-O 3.42Å; D312-E314 PolarHBondContact OD1-N 3.01Å; E314-R339 VanDerWaalsContact CD-NE 3.31Å; E314-R339 IonicContact OE1-CZ 2.7Å; E314-R339 IonicContact OE1-NE 3.27Å; E314-R339 PolarHBondContact OE1-NE 2.9Å; E314-R339 IonicContact OE1-NH2 3.31Å; E314-R339 PolarHBondContact OE1-NH2 3.45Å; E314-R339 IonicContact OE2-CZ 3.85Å; E314-R339 IonicContact OE2-NE 3.62Å; E314-R339 PolarHBondContact OE2-NE 3.34Å; E314-R339 IonicContact OE2-NH2 3.66Å
315	D	96.5	Very high	93.5	Very high	58 Å²	58	47.8 Å²	47.8	31%	0.31	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-72.7	159.2	170.4	-60.9	-17.2	0	0	0	110.1	A303 K307 R338	A303-D315 HydrophobicContact CB-CB 4.14Å; K307-D315 WeakPolarHBondContact CE-OD1 3.48Å; K307-D315 IonicContact NZ-OD1 2.65Å; K307-D315 PolarHBondContact NZ-OD1 3.16Å; D315-R338 WeakPolarHBondContact O-CD 3.23Å; D315-R338 VanDerWaalsContact O-CG 3.24Å; D315-R338 WeakPolarHBondContact O-CG 2.91Å; D315-R338 PolarHBondContact O-NE 2.78Å
316	H	96.5	Very high	93	Very high	5 Å²	5	50 Å²	50	2%	0.023	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-63	157.9	169.2	60.8	78.4	0	0	0	111.5	N299 Y306 F335 R338	N299-H316 PolarHBondContact OD1-CE1 3.08Å; Y306-H316 HydrophobicContact CD1-CB 4.06Å; Y306-H316 HydrophobicContact CD2-CB 4.02Å; Y306-H316 HydrophobicContact CE1-CB 4.3Å; Y306-H316 HydrophobicContact CE2-CB 4.25Å; Y306-H316 HydrophobicContact CG-CB 3.92Å; H316-F335 HydrophobicContact CB-CB 4.33Å; H316-F335 HydrophobicContact CB-CD1 3.93Å; H316-F335 AromaticContact CD2-CD1 3.51Å; H316-F335 AromaticContact CD2-CE1 3.66Å; H316-F335 AromaticContact CG-CD1 3.71Å; H316-R338 PolarHBondContact O-NE 2.99Å; H316-R338 PolarHBondContact O-NH2 3.12Å
317	L	96.7	Very high	92.2	Very high	19 Å²	19	59.9 Å²	59.9	10%	0.099	31%	0.311	C	S	.	.	S	Bend	trans	-76.9	-45.2	171.1	-176.8	61.1	0	0	0	110.6	I336 R338 N426 F430	L317-I336 HydrophobicContact CB-CG2 4.22Å; L317-I336 WeakPolarHBondContact CB-O 3.25Å; L317-I336 HydrophobicContact CD2-CG2 4.2Å; L317-I336 PolarHBondContact N-O 3.29Å; L317-R338 HydrophobicContact CB-CG 3.93Å; L317-R338 HydrophobicContact CD1-CG 4.42Å; L317-N426 HydrophobicContact CD1-CB 4.45Å; L317-F430 HydrophobicContact CD2-CB 3.59Å; L317-F430 HydrophobicContact CD2-CD2 4.41Å; L317-F430 HydrophobicContact CD2-CG 4.48Å
318	A	97.1	Very high	91.9	Very high	11 Å²	11	57.6 Å²	57.6	9%	0.091	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	156.2	-179.2	0	0	0	0	0	110.8	F335 I336 L416 L420	A318-F335 WeakPolarHBondContact O-CA 3.24Å; A318-I336 HydrophobicContact CB-CB 4.42Å; A318-I336 HydrophobicContact CB-CD1 4.28Å; A318-I336 PolarHBondContact O-N 2.86Å; A318-L416 HydrophobicContact CB-CD1 4Å; A318-L416 HydrophobicContact CB-CD2 4.4Å; A318-L416 HydrophobicContact CB-CG 4.44Å; A318-L420 HydrophobicContact CB-CD1 3.8Å; A318-L420 HydrophobicContact CB-CD2 3.94Å; A318-L420 HydrophobicContact CB-CG 3.99Å
319	V	97.3	Very high	92	Very high	33 Å²	33	60.3 Å²	60.3	20%	0.2	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	141.3	-179.8	59.2	0	0	0	0	110.2	Y302 L334 F335	Y302-V319 HydrophobicContact CD1-CG2 4.01Å; Y302-V319 HydrophobicContact CD2-CG1 4.21Å; Y302-V319 HydrophobicContact CE1-CG2 4.4Å; Y302-V319 HydrophobicContact CG-CG1 4.21Å; Y302-V319 HydrophobicContact CG-CG2 4.28Å; V319-L334 CarbonylContact C-O 3.51Å; V319-L334 VanDerWaalsContact CA-O 3.27Å; V319-L334 WeakPolarHBondContact CA-O 3.41Å; V319-F335 HydrophobicContact CB-CD1 3.83Å; V319-F335 HydrophobicContact CB-CE1 3.87Å; V319-F335 HydrophobicContact CG2-CD1 3.67Å; V319-F335 HydrophobicContact CG2-CE1 3.35Å; V319-F335 HydrophobicContact CG2-CG 4.43Å; V319-F335 HydrophobicContact CG2-CZ 3.87Å
320	K	97	Very high	92.2	Very high	35 Å²	35	60 Å²	60	15%	0.152	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	117.3	169.5	-164.7	62.6	162.5	-178.3	0	110	F322 L333 L334 L416 E419	K320-F322 HydrophobicContact CG-CD1 4.29Å; K320-L333 WeakPolarHBondContact O-CA 3.46Å; K320-L334 HydrophobicContact CB-CB 4.4Å; K320-L334 PolarHBondContact N-O 3.11Å; K320-L334 PolarHBondContact O-N 2.9Å; K320-L416 HydrophobicContact CB-CB 4.26Å; K320-L416 HydrophobicContact CB-CD1 4.2Å; K320-L416 HydrophobicContact CB-CD2 3.99Å; K320-L416 HydrophobicContact CB-CG 4.37Å; K320-L416 HydrophobicContact CD-CD1 4.46Å; K320-L416 HydrophobicContact CG-CB 4.5Å; K320-E419 IonicContact NZ-OE1 2.75Å; K320-E419 PolarHBondContact NZ-OE1 3.43Å; K320-E419 IonicContact NZ-OE2 3.89Å; K320-E419 PolarHBondContact NZ-OE2 3.21Å
321	H	97.1	Very high	92.6	Very high	37 Å²	37	63.7 Å²	63.7	17%	0.171	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	125.4	170.7	-169.6	176.9	0	0	0	109	W290 R292 Y302 L333	W290-H321 WeakPolarHBondContact CA-NE2 3.06Å; W290-H321 PolarHBondContact O-NE2 2.86Å; R292-H321 PolarHBondContact O-CE1 2.99Å; Y302-H321 HydrophobicContact CE1-CB 4.39Å; Y302-H321 AromaticContact CZ-ND1 3.9Å; Y302-H321 PolarHBondContact OH-ND1 3.36Å; H321-L333 HydrophobicContact CB-CD2 3.48Å; H321-L333 VanDerWaalsContact CB-CD2 3.48Å
322	F	96.1	Very high	93	Very high	15 Å²	15	58.2 Å²	58.2	7%	0.066	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	155.8	175.9	70.1	-82.9	0	0	0	112.3	K320 V324 F330 A332 L334 L409 K412	K320-F322 HydrophobicContact CG-CD1 4.29Å; F322-V324 HydrophobicContact CD2-CG2 3.95Å; F322-V324 HydrophobicContact CE2-CG2 3.84Å; F322-F330 AromaticContact CE2-CE2 3.77Å; F322-F330 HydrophobicContact CE2-CE2 3.77Å; F322-F330 HydrophobicContact CE2-CZ 4.26Å; F322-F330 HydrophobicContact CZ-CE2 4.19Å; F322-A332 HydrophobicContact CD1-CB 4.26Å; F322-A332 HydrophobicContact CE1-CB 3.64Å; F322-A332 HydrophobicContact CE2-CB 4.18Å; F322-A332 HydrophobicContact CZ-CB 3.61Å; F322-A332 PolarHBondContact N-O 2.65Å; F322-A332 VanDerWaalsContact N-O 3.1Å; F322-A332 PolarHBondContact O-N 3.11Å; F322-L334 HydrophobicContact CE1-CD1 3.67Å; F322-L334 HydrophobicContact CE1-CG 3.97Å; F322-L334 HydrophobicContact CZ-CD1 4.38Å; F322-L409 HydrophobicContact CE1-CD2 4.33Å; F322-L409 HydrophobicContact CZ-CD2 3.71Å; F322-K412 HydrophobicContact CB-CD 4.27Å; F322-K412 HydrophobicContact CD1-CB 3.98Å; F322-K412 HydrophobicContact CD1-CD 4.35Å; F322-K412 HydrophobicContact CD1-CG 3.9Å; F322-K412 HydrophobicContact CD2-CD 4.27Å; F322-K412 HydrophobicContact CD2-CG 3.8Å; F322-K412 HydrophobicContact CE1-CB 3.74Å; F322-K412 HydrophobicContact CE1-CG 3.91Å; F322-K412 HydrophobicContact CE2-CB 4.46Å; F322-K412 HydrophobicContact CE2-CG 3.8Å; F322-K412 HydrophobicContact CG-CB 4.42Å; F322-K412 HydrophobicContact CG-CD 4.04Å; F322-K412 HydrophobicContact CG-CG 3.83Å; F322-K412 HydrophobicContact CZ-CB 3.99Å; F322-K412 HydrophobicContact CZ-CG 3.84Å
323	S	94.7	Very high	93.3	Very high	64 Å²	64	56.2 Å²	56.2	45%	0.448	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	153.7	167.5	56.8	0	0	0	0	110.3	F330	S323-F330 WeakPolarHBondContact CA-O 3.36Å
324	V	93.6	Very high	93.5	Very high	31 Å²	31	47.3 Å²	47.3	19%	0.188	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125.8	168.5	-179.5	0	0	0	0	106.8	F322 E329 F330 N408	F322-V324 HydrophobicContact CD2-CG2 3.95Å; F322-V324 HydrophobicContact CE2-CG2 3.84Å; V324-E329 VanDerWaalsContact O-CA 3.31Å; V324-E329 WeakPolarHBondContact O-CA 3.45Å; V324-F330 HydrophobicContact CB-CD1 3.95Å; V324-F330 HydrophobicContact CB-CE1 3.63Å; V324-F330 HydrophobicContact CB-CE2 4.49Å; V324-F330 HydrophobicContact CB-CZ 3.94Å; V324-F330 HydrophobicContact CG1-CE1 4Å; V324-F330 HydrophobicContact CG2-CD1 4.4Å; V324-F330 HydrophobicContact CG2-CE1 3.72Å; V324-F330 HydrophobicContact CG2-CE2 3.97Å; V324-F330 HydrophobicContact CG2-CZ 3.48Å; V324-F330 VanDerWaalsContact CG2-CZ 3.48Å; V324-F330 PolarHBondContact N-O 2.65Å; V324-F330 PolarHBondContact O-N 3.44Å; V324-F330 VanDerWaalsContact O-N 3.11Å; V324-N408 HydrophobicContact CG2-CB 4.32Å
325	E	88.7	Confident	93.6	Very high	158 Å²	158	45.9 Å²	45.9	74%	0.738	24%	0.238	S	C	*	.			trans	-112.2	152.1	177.3	-64.9	175.3	-173.8	0	0	109.4
326	G	83.8	Confident	93.7	Very high	50 Å²	50	43.1 Å²	43.1	52%	0.515	22%	0.224	S	C	.	.	S	Bend	trans	133.9	-139.1	178.4	0	0	0	0	0	112.8	L328	G326-L328 PolarHBondContact O-N 2.95Å
327	Q	78.7	Confident	93.7	Very high	212 Å²	212	43.1 Å²	43.1	99%	0.991	22%	0.224	S	C	*	.	S	Bend	trans	-64.7	-23.7	177.9	-72.4	-174.4	-13.9	0	0	113.5
328	L	86.2	Confident	93.6	Very high	24 Å²	24	46.6 Å²	46.6	13%	0.126	24%	0.236	C	C	.	.	S	Bend	trans	-131.9	112.4	176.4	179.6	70.2	0	0	0	108	G326 F330 L387 I401 V404 I405	G326-L328 PolarHBondContact O-N 2.95Å; L328-F330 HydrophobicContact CD2-CD1 3.99Å; L328-F330 HydrophobicContact CD2-CE1 4.05Å; L328-F330 HydrophobicContact CG-CD1 4.02Å; L328-F330 HydrophobicContact CG-CE1 4.48Å; L328-L387 HydrophobicContact CD1-CD2 3.68Å; L328-I401 HydrophobicContact CD1-CG2 3.66Å; L328-I401 HydrophobicContact CD2-CG2 3.75Å; L328-I401 HydrophobicContact CG-CG2 4.35Å; L328-V404 HydrophobicContact CD2-CG1 4.28Å; L328-I405 HydrophobicContact CD2-CD1 4.07Å; L328-I405 HydrophobicContact CD2-CG1 3.42Å; L328-I405 VanDerWaalsContact CD2-CG1 3.42Å
329	E	90.6	Very high	93.5	Very high	92 Å²	92	53 Å²	53	43%	0.43	26%	0.258	S	S	.	.			trans	-99.2	123.5	179.1	-59	-166.6	167.6	0	0	110.6	V324 S384	V324-E329 VanDerWaalsContact O-CA 3.31Å; V324-E329 WeakPolarHBondContact O-CA 3.45Å; E329-S384 WeakPolarHBondContact O-CB 3.35Å; E329-S384 PolarHBondContact O-OG 3.37Å
330	F	93.9	Very high	93.3	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	154.7	173.1	69.6	-88	0	0	0	111.6	F322 S323 V324 L328 A332 V382 D383 I405 N408	F322-F330 AromaticContact CE2-CE2 3.77Å; F322-F330 HydrophobicContact CE2-CE2 3.77Å; F322-F330 HydrophobicContact CE2-CZ 4.26Å; F322-F330 HydrophobicContact CZ-CE2 4.19Å; S323-F330 WeakPolarHBondContact CA-O 3.36Å; V324-F330 HydrophobicContact CB-CD1 3.95Å; V324-F330 HydrophobicContact CB-CE1 3.63Å; V324-F330 HydrophobicContact CB-CE2 4.49Å; V324-F330 HydrophobicContact CB-CZ 3.94Å; V324-F330 HydrophobicContact CG1-CE1 4Å; V324-F330 HydrophobicContact CG2-CD1 4.4Å; V324-F330 HydrophobicContact CG2-CE1 3.72Å; V324-F330 HydrophobicContact CG2-CE2 3.97Å; V324-F330 HydrophobicContact CG2-CZ 3.48Å; V324-F330 VanDerWaalsContact CG2-CZ 3.48Å; V324-F330 PolarHBondContact N-O 2.65Å; V324-F330 PolarHBondContact O-N 3.44Å; V324-F330 VanDerWaalsContact O-N 3.11Å; L328-F330 HydrophobicContact CD2-CD1 3.99Å; L328-F330 HydrophobicContact CD2-CE1 4.05Å; L328-F330 HydrophobicContact CG-CD1 4.02Å; L328-F330 HydrophobicContact CG-CE1 4.48Å; F330-A332 HydrophobicContact CD2-CB 4.33Å; F330-A332 HydrophobicContact CE2-CB 4.34Å; F330-V382 HydrophobicContact CB-CG1 4.39Å; F330-V382 HydrophobicContact CD2-CG1 3.81Å; F330-V382 HydrophobicContact CE2-CG1 4.42Å; F330-V382 HydrophobicContact CG-CG1 4.31Å; F330-D383 CarbonylContact C-O 3.58Å; F330-D383 VanDerWaalsContact CA-O 3.25Å; F330-D383 WeakPolarHBondContact CA-O 3.43Å; F330-D383 WeakPolarHBondContact CB-O 3.32Å; F330-I405 HydrophobicContact CD1-CG1 4.4Å; F330-I405 HydrophobicContact CE1-CG1 4.15Å; F330-I405 HydrophobicContact CE2-CG2 4.32Å; F330-I405 HydrophobicContact CZ-CG2 4.17Å; F330-N408 HydrophobicContact CZ-CB 3.89Å
331	R	95.5	Very high	92.9	Very high	113 Å²	113	54 Å²	54	43%	0.426	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	146.4	171.4	-55.7	-171.3	-173.6	-177.5	4.5	109	W290 T291 D383	W290-R331 HydrophobicContact CB-CB 4.3Å; W290-R331 WeakPolarHBondContact O-CD 3.36Å; W290-R331 PolarHBondContact O-NH1 3.06Å; T291-R331 VanDerWaalsContact C-NH1 3.29Å; T291-R331 PolarHBondContact O-NH1 3.35Å; R331-D383 PolarHBondContact N-O 3.32Å; R331-D383 PolarHBondContact O-N 3.01Å
332	A	95.9	Very high	92.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	146.3	-177.7	0	0	0	0	0	112.7	F322 F330 V381 V382 L409	F322-A332 HydrophobicContact CD1-CB 4.26Å; F322-A332 HydrophobicContact CE1-CB 3.64Å; F322-A332 HydrophobicContact CE2-CB 4.18Å; F322-A332 HydrophobicContact CZ-CB 3.61Å; F322-A332 PolarHBondContact N-O 2.65Å; F322-A332 VanDerWaalsContact N-O 3.1Å; F322-A332 PolarHBondContact O-N 3.11Å; F330-A332 HydrophobicContact CD2-CB 4.33Å; F330-A332 HydrophobicContact CE2-CB 4.34Å; A332-V381 WeakPolarHBondContact CA-O 3.34Å; A332-V382 HydrophobicContact CB-CG2 4.05Å; A332-L409 HydrophobicContact CB-CD2 4.23Å
333	L	96.7	Very high	92.2	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	122.4	168.6	-70.1	173.4	0	0	0	108.7	I289 W290 Y302 F305 K320 H321 F335 G380 V381	I289-L333 HydrophobicContact CB-CD1 4.06Å; I289-L333 HydrophobicContact CG2-CD1 4.29Å; W290-L333 HydrophobicContact CB-CD1 4.05Å; W290-L333 HydrophobicContact CB-CG 4.03Å; W290-L333 HydrophobicContact CE3-CD1 4.17Å; Y302-L333 HydrophobicContact CD1-CD2 4.25Å; Y302-L333 HydrophobicContact CE1-CD2 3.62Å; F305-L333 HydrophobicContact CD1-CD1 4.3Å; F305-L333 HydrophobicContact CE1-CD1 3.95Å; F305-L333 HydrophobicContact CZ-CD1 4.34Å; K320-L333 WeakPolarHBondContact O-CA 3.46Å; H321-L333 HydrophobicContact CB-CD2 3.48Å; H321-L333 VanDerWaalsContact CB-CD2 3.48Å; L333-F335 HydrophobicContact CB-CE2 3.73Å; L333-F335 HydrophobicContact CB-CZ 4.2Å; L333-F335 HydrophobicContact CD1-CZ 4.47Å; L333-G380 CarbonylContact O-C 3.56Å; L333-G380 WeakPolarHBondContact O-CA 3.36Å; L333-V381 PolarHBondContact N-O 3.38Å; L333-V381 PolarHBondContact O-N 3.42Å
334	L	96.8	Very high	91.9	Very high	1 Å²	1	61 Å²	61	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.1	177.5	-56.8	179.1	0	0	0	109.6	V319 K320 F322 I354 I378 K379 L409 K412 C413	V319-L334 CarbonylContact C-O 3.51Å; V319-L334 VanDerWaalsContact CA-O 3.27Å; V319-L334 WeakPolarHBondContact CA-O 3.41Å; K320-L334 HydrophobicContact CB-CB 4.4Å; K320-L334 PolarHBondContact N-O 3.11Å; K320-L334 PolarHBondContact O-N 2.9Å; F322-L334 HydrophobicContact CE1-CD1 3.67Å; F322-L334 HydrophobicContact CE1-CG 3.97Å; F322-L334 HydrophobicContact CZ-CD1 4.38Å; L334-I354 HydrophobicContact CD2-CD1 3.79Å; L334-I378 HydrophobicContact CB-CG2 4.01Å; L334-I378 HydrophobicContact CD2-CG2 4.13Å; L334-K379 CarbonylContact C-O 3.52Å; L334-L409 HydrophobicContact CD1-CD2 4.21Å; L334-L409 HydrophobicContact CD2-CD2 3.92Å; L334-L409 HydrophobicContact CG-CD2 4.47Å; L334-K412 HydrophobicContact CD1-CB 4.49Å; L334-C413 VanDerWaalsContact CD1-SG 3.58Å
335	F	97.2	Very high	91.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.3	-177.7	-62	-88.1	0	0	0	110.2	Y302 F305 Y306 H316 A318 V319 L333 K379	Y302-F335 HydrophobicContact CD1-CZ 4.46Å; F305-F335 AromaticContact CD1-CE2 3.91Å; F305-F335 HydrophobicContact CD1-CE2 3.91Å; F305-F335 AromaticContact CD1-CZ 3.7Å; F305-F335 HydrophobicContact CD1-CZ 3.7Å; F305-F335 AromaticContact CE1-CE2 3.9Å; F305-F335 HydrophobicContact CE1-CE2 3.9Å; F305-F335 HydrophobicContact CE1-CZ 4.14Å; Y306-F335 HydrophobicContact CD2-CB 3.62Å; Y306-F335 AromaticContact CD2-CD1 3.91Å; Y306-F335 HydrophobicContact CD2-CD1 3.91Å; Y306-F335 HydrophobicContact CD2-CD2 4.29Å; Y306-F335 AromaticContact CD2-CG 3.69Å; Y306-F335 HydrophobicContact CD2-CG 3.69Å; Y306-F335 HydrophobicContact CE2-CB 3.94Å; Y306-F335 HydrophobicContact CE2-CG 4.49Å; Y306-F335 HydrophobicContact CG-CD1 4.25Å; Y306-F335 HydrophobicContact CG-CG 4.45Å; H316-F335 HydrophobicContact CB-CB 4.33Å; H316-F335 HydrophobicContact CB-CD1 3.93Å; H316-F335 AromaticContact CD2-CD1 3.51Å; H316-F335 AromaticContact CD2-CE1 3.66Å; H316-F335 AromaticContact CG-CD1 3.71Å; A318-F335 WeakPolarHBondContact O-CA 3.24Å; V319-F335 HydrophobicContact CB-CD1 3.83Å; V319-F335 HydrophobicContact CB-CE1 3.87Å; V319-F335 HydrophobicContact CG2-CD1 3.67Å; V319-F335 HydrophobicContact CG2-CE1 3.35Å; V319-F335 HydrophobicContact CG2-CG 4.43Å; V319-F335 HydrophobicContact CG2-CZ 3.87Å; L333-F335 HydrophobicContact CB-CE2 3.73Å; L333-F335 HydrophobicContact CB-CZ 4.2Å; L333-F335 HydrophobicContact CD1-CZ 4.47Å; F335-K379 HydrophobicContact CB-CB 4.35Å; F335-K379 PolarHBondContact N-O 3.21Å; F335-K379 PolarHBondContact O-N 3.28Å
336	I	97.1	Very high	91.4	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.2	168.2	-63.9	171.7	0	0	0	107.4	L317 A318 F377 L416 F417 L420 F430 F434	L317-I336 HydrophobicContact CB-CG2 4.22Å; L317-I336 WeakPolarHBondContact CB-O 3.25Å; L317-I336 HydrophobicContact CD2-CG2 4.2Å; L317-I336 PolarHBondContact N-O 3.29Å; A318-I336 HydrophobicContact CB-CB 4.42Å; A318-I336 HydrophobicContact CB-CD1 4.28Å; A318-I336 PolarHBondContact O-N 2.86Å; I336-F377 HydrophobicContact CG1-CE2 4.42Å; I336-F377 HydrophobicContact CG2-CE2 4.28Å; I336-L416 HydrophobicContact CD1-CD2 3.43Å; I336-L416 VanDerWaalsContact CD1-CD2 3.43Å; I336-L416 HydrophobicContact CD1-CG 3.88Å; I336-L416 HydrophobicContact CG1-CD2 3.81Å; I336-F417 HydrophobicContact CD1-CD1 3.71Å; I336-F417 HydrophobicContact CD1-CE1 3.47Å; I336-F417 VanDerWaalsContact CD1-CE1 3.47Å; I336-F417 HydrophobicContact CG1-CE1 4.25Å; I336-L420 HydrophobicContact CD1-CD1 3.46Å; I336-L420 VanDerWaalsContact CD1-CD1 3.46Å; I336-F430 HydrophobicContact CD1-CE2 4.26Å; I336-F430 HydrophobicContact CG2-CD2 3.79Å; I336-F430 HydrophobicContact CG2-CE2 4.05Å; I336-F434 HydrophobicContact CG2-CD2 4.41Å; I336-F434 HydrophobicContact CG2-CE2 4.03Å
337	P	96.3	Very high	91	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.032	30%	0.3	C	S	.	.			trans	-61.6	152.5	173.8	-23	34.8	0	0	0	111.9	Y306 R339 F377 K379 F434	Y306-P337 WeakPolarHBondContact OH-CB 3.27Å; P337-R339 VanDerWaalsContact C-N 3.3Å; P337-R339 PolarHBondContact O-N 3.02Å; P337-F377 WeakPolarHBondContact CD-O 3.48Å; P337-K379 HydrophobicContact CG-CG 3.9Å; P337-F434 HydrophobicContact CB-CZ 4.4Å; P337-F434 WeakPolarHBondContact O-CE2 3.4Å
338	R	96	Very high	90.7	Very high	91 Å²	91	67.2 Å²	67.2	34%	0.343	30%	0.295	S	S	.	.	S	Bend	trans	-69.6	-27.4	173.6	-78.7	-179.6	-174.1	-84.1	-4.8	113.8	D315 H316 L317 Q433	D315-R338 WeakPolarHBondContact O-CD 3.23Å; D315-R338 VanDerWaalsContact O-CG 3.24Å; D315-R338 WeakPolarHBondContact O-CG 2.91Å; D315-R338 PolarHBondContact O-NE 2.78Å; H316-R338 PolarHBondContact O-NE 2.99Å; H316-R338 PolarHBondContact O-NH2 3.12Å; L317-R338 HydrophobicContact CB-CG 3.93Å; L317-R338 HydrophobicContact CD1-CG 4.42Å; R338-Q433 WeakPolarHBondContact O-CG 3.31Å
339	R	94.3	Very high	90	Very high	147 Å²	147	70.2 Å²	70.2	56%	0.555	31%	0.307	S	S	*	.	S	Bend	trans	-129.7	143.4	-177.2	-57.4	-177.3	-168.7	-146.4	0.5	110.1	E314 P337	E314-R339 VanDerWaalsContact CD-NE 3.31Å; E314-R339 IonicContact OE1-CZ 2.7Å; E314-R339 IonicContact OE1-NE 3.27Å; E314-R339 PolarHBondContact OE1-NE 2.9Å; E314-R339 IonicContact OE1-NH2 3.31Å; E314-R339 PolarHBondContact OE1-NH2 3.45Å; E314-R339 IonicContact OE2-CZ 3.85Å; E314-R339 IonicContact OE2-NE 3.62Å; E314-R339 PolarHBondContact OE2-NE 3.34Å; E314-R339 IonicContact OE2-NH2 3.66Å; P337-R339 VanDerWaalsContact C-N 3.3Å; P337-R339 PolarHBondContact O-N 3.02Å
340	S	93.2	Very high	88.8	Confident	46 Å²	46	72 Å²	72	32%	0.322	32%	0.319	S	S	.	.			trans	-66.9	134.9	169.9	62.1	0	0	0	0	109.8
341	P	89.4	Confident	87.4	Confident	41 Å²	41	75.4 Å²	75.4	27%	0.266	33%	0.331	S	S	.	.			trans	-65.5	145.7	171.4	28.5	-32.4	0	0	0	109.9	D343 L344	P341-D343 PolarHBondContact O-N 2.7Å; P341-D343 VanDerWaalsContact O-N 3.12Å; P341-L344 HydrophobicContact CG-CB 4Å; P341-L344 HydrophobicContact CG-CD1 4.19Å; P341-L344 WeakPolarHBondContact O-CB 3.47Å; P341-L344 PolarHBondContact O-N 3.13Å; P341-L344 VanDerWaalsContact O-N 3.14Å
342	Y	88.8	Confident	85.9	Confident	220 Å²	220	70.5 Å²	70.5	86%	0.863	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.8	-175.7	67.5	-92.7	0	0	0	113.2
343	D	88.8	Confident	85.1	Confident	22 Å²	22	71.8 Å²	71.8	12%	0.118	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102	17.3	-178	59.8	10	0	0	0	113.3	P341 F345 E346 K349	P341-D343 PolarHBondContact O-N 2.7Å; P341-D343 VanDerWaalsContact O-N 3.12Å; D343-F345 PolarHBondContact O-N 3.14Å; D343-F345 VanDerWaalsContact O-N 3.14Å; D343-E346 HydrophobicContact CB-CB 4.26Å; D343-E346 WeakPolarHBondContact O-CB 3.44Å; D343-E346 PolarHBondContact O-N 3.17Å; D343-K349 HydrophobicContact CB-CD 4.31Å; D343-K349 IonicContact OD1-NZ 2.65Å; D343-K349 PolarHBondContact OD1-NZ 2.81Å; D343-K349 WeakPolarHBondContact OD2-CD 3.48Å; D343-K349 WeakPolarHBondContact OD2-CE 3.47Å; D343-K349 IonicContact OD2-NZ 3.75Å; D343-K349 PolarHBondContact OD2-NZ 2.75Å
344	L	87.8	Confident	84.8	Confident	21 Å²	21	71.9 Å²	71.9	11%	0.11	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.7	-174.9	-177.9	57.1	0	0	0	114.2	P341 F377 F434 N437	P341-L344 HydrophobicContact CG-CB 4Å; P341-L344 HydrophobicContact CG-CD1 4.19Å; P341-L344 WeakPolarHBondContact O-CB 3.47Å; P341-L344 PolarHBondContact O-N 3.13Å; P341-L344 VanDerWaalsContact O-N 3.14Å; L344-F377 HydrophobicContact CD1-CB 3.77Å; L344-F377 HydrophobicContact CD2-CB 4.39Å; L344-F434 HydrophobicContact CD2-CD1 4.23Å; L344-F434 HydrophobicContact CD2-CE1 4.28Å; L344-N437 WeakPolarHBondContact CD2-OD1 3.29Å
345	F	86.2	Confident	84.5	Confident	107 Å²	107	74 Å²	74	47%	0.469	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	20	-178.5	-61.3	-73.7	0	0	0	112.8	D343 N347 K436 N437	D343-F345 PolarHBondContact O-N 3.14Å; D343-F345 VanDerWaalsContact O-N 3.14Å; F345-N347 PolarHBondContact O-N 3.06Å; F345-K436 HydrophobicContact CE2-CB 4.23Å; F345-K436 HydrophobicContact CE2-CD 4.12Å; F345-K436 HydrophobicContact CZ-CB 3.75Å; F345-K436 HydrophobicContact CZ-CD 4.44Å; F345-N437 WeakPolarHBondContact CZ-OD1 3.44Å
346	E	85.4	Confident	84.1	Confident	108 Å²	108	74 Å²	74	51%	0.505	33%	0.332	S	S	.	.			trans	-79.5	105.8	176.3	-170.8	177.6	171.1	0	0	111.2	D343 R348 K349	D343-E346 HydrophobicContact CB-CB 4.26Å; D343-E346 WeakPolarHBondContact O-CB 3.44Å; D343-E346 PolarHBondContact O-N 3.17Å; E346-R348 PolarHBondContact O-N 3.24Å; E346-K349 HydrophobicContact CB-CB 4.49Å; E346-K349 WeakPolarHBondContact O-CB 3.26Å; E346-K349 PolarHBondContact O-N 3.29Å; E346-K349 VanDerWaalsContact O-N 3.08Å
347	N	75.9	Confident	83.8	Confident	135 Å²	135	74 Å²	74	72%	0.722	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.3	-174.6	-70.6	-24.6	0	0	0	115.7	F345	F345-N347 PolarHBondContact O-N 3.06Å
348	R	72.3	Confident	83.5	Confident	233 Å²	233	74.3 Å²	74.3	88%	0.879	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-14.1	-178.8	-67.1	-176.1	-179.8	-179.4	0.9	113.5	E346	E346-R348 PolarHBondContact O-N 3.24Å
349	K	71.6	Confident	82.9	Confident	87 Å²	87	71.6 Å²	71.6	38%	0.378	32%	0.324	S	S	.	.	S	Bend	trans	-72.1	136.5	-177.1	-173.1	170	173.8	172.9	0	109.5	D343 E346 R351	D343-K349 HydrophobicContact CB-CD 4.31Å; D343-K349 IonicContact OD1-NZ 2.65Å; D343-K349 PolarHBondContact OD1-NZ 2.81Å; D343-K349 WeakPolarHBondContact OD2-CD 3.48Å; D343-K349 WeakPolarHBondContact OD2-CE 3.47Å; D343-K349 IonicContact OD2-NZ 3.75Å; D343-K349 PolarHBondContact OD2-NZ 2.75Å; E346-K349 HydrophobicContact CB-CB 4.49Å; E346-K349 WeakPolarHBondContact O-CB 3.26Å; E346-K349 PolarHBondContact O-N 3.29Å; E346-K349 VanDerWaalsContact O-N 3.08Å; K349-R351 PolarHBondContact O-N 3.37Å; K349-R351 VanDerWaalsContact O-N 3.09Å
350	L	65.5	Low	82.6	Confident	128 Å²	128	67.2 Å²	67.2	67%	0.67	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-56.3	118.4	170.5	-75.6	163.4	0	0	0	108.4	N366	L350-N366 HydrophobicContact CB-CB 4.41Å
351	R	65.4	Low	82.2	Confident	78 Å²	78	65.1 Å²	65.1	29%	0.294	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-80.4	142.7	-172.2	-61.4	174.5	-178.1	-157.8	8.1	109.2	K349 N366 E368 E373	K349-R351 PolarHBondContact O-N 3.37Å; K349-R351 VanDerWaalsContact O-N 3.09Å; R351-N366 CarbonylContact O-C 3.58Å; R351-N366 WeakPolarHBondContact O-CA 3.48Å; R351-N366 VanDerWaalsContact O-CB 3.29Å; R351-N366 WeakPolarHBondContact O-CB 3.47Å; R351-E368 HydrophobicContact CB-CG 4.04Å; R351-E373 VanDerWaalsContact CD-OE2 3.3Å; R351-E373 WeakPolarHBondContact CD-OE2 3.36Å; R351-E373 IonicContact CZ-OE2 3.98Å; R351-E373 IonicContact NE-OE2 2.84Å; R351-E373 IonicContact NH1-OE1 3.35Å; R351-E373 IonicContact NH1-OE2 3.53Å; R351-E373 PolarHBondContact NH1-OE2 2.84Å
352	N	62.6	Low	82.1	Confident	10 Å²	10	63.5 Å²	63.5	5%	0.053	28%	0.281	C	S	.	.			trans	98.6	116.4	168.8	-59.1	2.8	0	0	0	117.4	N366 C367 E368 N376	N352-N366 PolarHBondContact O-OD1 2.93Å; N352-C367 VanDerWaalsContact ND2-C 3.31Å; N352-C367 PolarHBondContact ND2-O 3.14Å; N352-E368 WeakPolarHBondContact ND2-CA 3.42Å; N352-N376 WeakPolarHBondContact CA-OD1 3.44Å; N352-N376 PolarHBondContact N-OD1 2.95Å; N352-N376 PolarHBondContact OD1-OD1 3.42Å
353	S	79.4	Confident	82	Confident	27 Å²	27	53.4 Å²	53.4	19%	0.189	24%	0.242	C	C	.	.			trans	-93	0.3	-175.2	-67.6	0	0	0	0	113.6	N376 I378 K379 G380	S353-N376 PolarHBondContact OG-O 3.01Å; S353-I378 WeakPolarHBondContact CB-O 3.38Å; S353-K379 WeakPolarHBondContact OG-CE 3.5Å; S353-K379 PolarHBondContact OG-NZ 3.23Å; S353-G380 PolarHBondContact O-N 3.1Å
354	I	90.4	Very high	81.7	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	121.9	179.4	-59.3	-174.4	0	0	0	108.7	L334 L370 M371 G380 V382 L409	L334-I354 HydrophobicContact CD2-CD1 3.79Å; I354-L370 HydrophobicContact CG2-CD1 4.43Å; I354-M371 HydrophobicContact CD1-CG 3.41Å; I354-M371 VanDerWaalsContact CD1-CG 3.41Å; I354-M371 HydrophobicContact CD1-SD 4.02Å; I354-M371 HydrophobicContact CG1-CG 4.37Å; I354-G380 WeakPolarHBondContact CA-O 3.47Å; I354-V382 HydrophobicContact CG2-CB 4.46Å; I354-V382 HydrophobicContact CG2-CG2 3.69Å; I354-L409 HydrophobicContact CD1-CD1 4.32Å
355	K	89.8	Confident	81.2	Confident	45 Å²	45	56.7 Å²	56.7	20%	0.196	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130.4	176	-63.6	-174	-174.4	178.2	0	109.9	L309 Y357 F362 G380 V381 V382	L309-K355 HydrophobicContact CD1-CD 3.98Å; K355-Y357 HydrophobicContact CB-CD2 4.2Å; K355-Y357 HydrophobicContact CB-CE2 3.47Å; K355-Y357 VanDerWaalsContact CB-CE2 3.47Å; K355-Y357 HydrophobicContact CD-CE2 4.33Å; K355-F362 HydrophobicContact CB-CD2 4.4Å; K355-F362 HydrophobicContact CB-CE2 4.1Å; K355-F362 HydrophobicContact CD-CE2 4.19Å; K355-F362 HydrophobicContact CG-CE2 4.16Å; K355-G380 PolarHBondContact N-O 2.87Å; K355-V381 WeakPolarHBondContact O-CA 3.27Å; K355-V382 PolarHBondContact O-N 3.12Å
356	L	90.7	Very high	80.4	Confident	1 Å²	1	54 Å²	54	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	126.3	176.5	-177.8	69.1	0	0	0	110.3	I363 M364 L370 V382 L387 L396	L356-I363 PolarHBondContact O-N 2.93Å; L356-M364 HydrophobicContact CB-CG 3.91Å; L356-M364 HydrophobicContact CD2-CE 4.46Å; L356-M364 HydrophobicContact CD2-CG 3.97Å; L356-M364 HydrophobicContact CD2-SD 4.15Å; L356-M364 PolarHBondContact N-O 3.35Å; L356-M364 PolarHBondContact O-N 3Å; L356-L370 HydrophobicContact CB-CD1 4.32Å; L356-V382 HydrophobicContact CD1-CB 4.01Å; L356-V382 HydrophobicContact CD1-CG1 3.83Å; L356-L387 HydrophobicContact CD1-CD1 3.96Å; L356-L387 HydrophobicContact CD2-CD1 4.17Å; L356-L387 HydrophobicContact CG-CD1 4.45Å; L356-L396 HydrophobicContact CD2-CD1 3.52Å; L356-L396 HydrophobicContact CD2-CG 4.18Å
357	Y	90.7	Very high	79.7	Confident	1 Å²	1	49.6 Å²	49.6	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	149.3	174.5	-66.5	-101.1	0	0	0	109.8	F211 K355 V361 F362 V381 V382 D383 S384	F211-Y357 HydrophobicContact CD2-CD1 4.12Å; F211-Y357 AromaticContact CD2-CE1 3.5Å; F211-Y357 HydrophobicContact CD2-CE1 3.5Å; F211-Y357 VanDerWaalsContact CD2-CE1 3.5Å; F211-Y357 HydrophobicContact CD2-CE2 4.43Å; F211-Y357 AromaticContact CD2-CZ 3.69Å; F211-Y357 AromaticContact CE2-CE1 3.93Å; F211-Y357 HydrophobicContact CE2-CE1 3.93Å; F211-Y357 HydrophobicContact CE2-CE2 4.19Å; F211-Y357 AromaticContact CE2-CZ 3.59Å; F211-Y357 WeakPolarHBondContact CE2-OH 3.39Å; K355-Y357 HydrophobicContact CB-CD2 4.2Å; K355-Y357 HydrophobicContact CB-CE2 3.47Å; K355-Y357 VanDerWaalsContact CB-CE2 3.47Å; K355-Y357 HydrophobicContact CD-CE2 4.33Å; Y357-V361 CarbonylContact C-O 3.59Å; Y357-V361 WeakPolarHBondContact CA-O 3.34Å; Y357-V361 VanDerWaalsContact CD1-C 3.47Å; Y357-F362 HydrophobicContact CD1-CB 4.04Å; Y357-F362 VanDerWaalsContact CD1-N 3.35Å; Y357-F362 HydrophobicContact CE1-CB 3.58Å; Y357-F362 HydrophobicContact CE1-CD2 4.07Å; Y357-F362 HydrophobicContact CE1-CG 4.33Å; Y357-F362 HydrophobicContact CE2-CD2 4.22Å; Y357-F362 AromaticContact CZ-CD2 3.79Å; Y357-V381 HydrophobicContact CD2-CG1 3.54Å; Y357-V381 HydrophobicContact CE2-CG1 3.86Å; Y357-V381 HydrophobicContact CE2-CG2 4.13Å; Y357-V381 HydrophobicContact CG-CG1 4.44Å; Y357-V382 PolarHBondContact N-O 2.78Å; Y357-D383 WeakPolarHBondContact CB-OD1 3.3Å; Y357-D383 WeakPolarHBondContact O-CA 3.35Å; Y357-S384 PolarHBondContact O-N 3.1Å; Y357-S384 VanDerWaalsContact O-N 3.14Å
358	V	88.4	Confident	79.8	Confident	10 Å²	10	48.8 Å²	48.8	6%	0.061	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	121.1	167.9	173.3	0	0	0	0	107.7	R360 V361 I363 S384 L387 L389	V358-R360 PolarHBondContact O-N 2.56Å; V358-V361 PolarHBondContact N-O 3.21Å; V358-V361 WeakPolarHBondContact O-CB 3.47Å; V358-V361 PolarHBondContact O-N 2.99Å; V358-I363 HydrophobicContact CB-CD1 4.1Å; V358-I363 HydrophobicContact CB-CG1 3.83Å; V358-I363 HydrophobicContact CG2-CD1 4.42Å; V358-I363 HydrophobicContact CG2-CG1 3.73Å; V358-S384 CarbonylContact C-O 3.49Å; V358-S384 WeakPolarHBondContact CA-O 3.19Å; V358-L387 HydrophobicContact CG2-CB 3.71Å; V358-L387 HydrophobicContact CG2-CD1 3.75Å; V358-L387 HydrophobicContact CG2-CG 4.15Å; V358-L389 HydrophobicContact CB-CD1 4.17Å; V358-L389 HydrophobicContact CB-CD2 4.5Å; V358-L389 HydrophobicContact CG1-CD1 4.02Å; V358-L389 HydrophobicContact CG1-CG 4.43Å; V358-L389 HydrophobicContact CG2-CD2 4Å; V358-L389 HydrophobicContact CG2-CG 4.48Å
359	R	84.7	Confident	80.2	Confident	35 Å²	35	41.6 Å²	41.6	13%	0.132	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	52	43.4	-175.4	-53.6	-175.6	173.9	-105.2	-5.7	111.3	S127 I129 V361 D383 S384 E385 D386	S127-R359 WeakPolarHBondContact OG-CD 3.12Å; S127-R359 VanDerWaalsContact OG-CG 3.28Å; S127-R359 WeakPolarHBondContact OG-CG 2.84Å; S127-R359 PolarHBondContact OG-NH1 2.93Å; I129-R359 HydrophobicContact CG1-CB 3.99Å; R359-V361 PolarHBondContact O-N 2.77Å; R359-V361 VanDerWaalsContact O-N 3.16Å; R359-D383 PolarHBondContact N-OD1 3.39Å; R359-S384 PolarHBondContact N-O 3.19Å; R359-E385 WeakPolarHBondContact CG-OE2 3.48Å; R359-E385 PolarHBondContact NE-O 3.09Å; R359-E385 IonicContact NH1-OE2 3.67Å; R359-E385 PolarHBondContact NH2-O 3.42Å; R359-D386 IonicContact NH2-OD1 3.71Å; R359-D386 PolarHBondContact NH2-OD1 3.36Å
360	R	86.9	Confident	81	Confident	54 Å²	54	37.5 Å²	37.5	20%	0.204	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	8.4	-176.7	-52.2	171.8	-70.8	-81.8	3.1	115.8	F211 W290 V358 D383 E385	F211-R360 HydrophobicContact CB-CB 4.21Å; W290-R360 HydrophobicContact CZ2-CG 4.43Å; V358-R360 PolarHBondContact O-N 2.56Å; R360-D383 WeakPolarHBondContact CG-OD2 3.31Å; R360-D383 PolarHBondContact N-OD1 3.49Å; R360-D383 PolarHBondContact N-OD2 3.37Å; R360-E385 IonicContact NH1-OE1 3.66Å
361	V	84.5	Confident	82.2	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.1	173	-178.3	0	0	0	0	109.7	R44 I129 I212 Y357 V358 R359 I363	R44-V361 HydrophobicContact CG-CG1 4.13Å; I129-V361 HydrophobicContact CD1-CG2 3.32Å; I129-V361 HydrophobicContact CG1-CG2 3.85Å; I129-V361 HydrophobicContact CG2-CG2 4.11Å; I212-V361 HydrophobicContact CD1-CG2 4.22Å; Y357-V361 CarbonylContact C-O 3.59Å; Y357-V361 WeakPolarHBondContact CA-O 3.34Å; Y357-V361 VanDerWaalsContact CD1-C 3.47Å; V358-V361 PolarHBondContact N-O 3.21Å; V358-V361 WeakPolarHBondContact O-CB 3.47Å; V358-V361 PolarHBondContact O-N 2.99Å; R359-V361 PolarHBondContact O-N 2.77Å; R359-V361 VanDerWaalsContact O-N 3.16Å; V361-I363 PolarHBondContact O-N 3.24Å
362	F	87.7	Confident	83.5	Confident	7 Å²	7	28.4 Å²	28.4	3%	0.031	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.3	177.8	178.4	-104.2	0	0	0	110.7	K207 H208 K355 Y357 M364 E365	K207-F362 HydrophobicContact CG-CD1 4.28Å; K207-F362 HydrophobicContact CG-CE1 4.12Å; K207-F362 WeakPolarHBondContact O-CB 3.44Å; K207-F362 WeakPolarHBondContact O-CG 3.45Å; H208-F362 AromaticContact CE1-CD1 4Å; H208-F362 AromaticContact ND1-CD1 3.62Å; K355-F362 HydrophobicContact CB-CD2 4.4Å; K355-F362 HydrophobicContact CB-CE2 4.1Å; K355-F362 HydrophobicContact CD-CE2 4.19Å; K355-F362 HydrophobicContact CG-CE2 4.16Å; Y357-F362 HydrophobicContact CD1-CB 4.04Å; Y357-F362 VanDerWaalsContact CD1-N 3.35Å; Y357-F362 HydrophobicContact CE1-CB 3.58Å; Y357-F362 HydrophobicContact CE1-CD2 4.07Å; Y357-F362 HydrophobicContact CE1-CG 4.33Å; Y357-F362 HydrophobicContact CE2-CD2 4.22Å; Y357-F362 AromaticContact CZ-CD2 3.79Å; F362-M364 VanDerWaalsContact CZ-C 3.47Å; F362-E365 HydrophobicContact CE2-CB 4.03Å; F362-E365 HydrophobicContact CZ-CB 3.7Å; F362-E365 HydrophobicContact CZ-CG 3.81Å; F362-E365 VanDerWaalsContact CZ-N 3.26Å
363	I	86.2	Confident	84.8	Confident	7 Å²	7	30.2 Å²	30.2	4%	0.036	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-58.3	179.8	-57.8	-55.4	0	0	0	110	L356 V358 V361 L389 R393	L356-I363 PolarHBondContact O-N 2.93Å; V358-I363 HydrophobicContact CB-CD1 4.1Å; V358-I363 HydrophobicContact CB-CG1 3.83Å; V358-I363 HydrophobicContact CG2-CD1 4.42Å; V358-I363 HydrophobicContact CG2-CG1 3.73Å; V361-I363 PolarHBondContact O-N 3.24Å; I363-L389 HydrophobicContact CB-CD2 4.47Å; I363-L389 HydrophobicContact CD1-CD1 3.61Å; I363-L389 HydrophobicContact CD1-CD2 3.81Å; I363-L389 HydrophobicContact CD1-CG 4.38Å; I363-L389 HydrophobicContact CG1-CD1 4.47Å; I363-L389 HydrophobicContact CG1-CD2 3.9Å; I363-L389 HydrophobicContact CG2-CD2 3.75Å; I363-R393 HydrophobicContact CD1-CB 4.47Å
364	M	82.6	Confident	85.5	Confident	28 Å²	28	29 Å²	29	14%	0.138	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	145.2	-177.2	63	-179.4	69.4	0	0	111.6	L356 F362 C367 L396	L356-M364 HydrophobicContact CB-CG 3.91Å; L356-M364 HydrophobicContact CD2-CE 4.46Å; L356-M364 HydrophobicContact CD2-CG 3.97Å; L356-M364 HydrophobicContact CD2-SD 4.15Å; L356-M364 PolarHBondContact N-O 3.35Å; L356-M364 PolarHBondContact O-N 3Å; F362-M364 VanDerWaalsContact CZ-C 3.47Å; M364-C367 HydrophobicContact CG-CB 4.33Å; M364-C367 HydrophobicContact SD-CB 3.69Å; M364-L396 HydrophobicContact CE-CB 4.36Å; M364-L396 HydrophobicContact CE-CD1 4.21Å; M364-L396 HydrophobicContact CE-CG 3.98Å
365	E	77.8	Confident	85.7	Confident	85 Å²	85	29 Å²	29	40%	0.397	14%	0.136	S	C	.	.	S	Bend	trans	-103.6	166.5	156.4	58.6	-170.3	-178.4	0	0	108.2	F362 C367	F362-E365 HydrophobicContact CE2-CB 4.03Å; F362-E365 HydrophobicContact CZ-CB 3.7Å; F362-E365 HydrophobicContact CZ-CG 3.81Å; F362-E365 VanDerWaalsContact CZ-N 3.26Å; E365-C367 PolarHBondContact O-N 3.4Å
366	N	69.3	Low	85.8	Confident	51 Å²	51	27.8 Å²	27.8	27%	0.273	13%	0.132	S	C	.	.			trans	66.1	33.6	174.3	-45.7	-36.6	0	0	0	115.7	L350 R351 N352 E368	L350-N366 HydrophobicContact CB-CB 4.41Å; R351-N366 CarbonylContact O-C 3.58Å; R351-N366 WeakPolarHBondContact O-CA 3.48Å; R351-N366 VanDerWaalsContact O-CB 3.29Å; R351-N366 WeakPolarHBondContact O-CB 3.47Å; N352-N366 PolarHBondContact O-OD1 2.93Å; N366-E368 PolarHBondContact O-N 3.19Å
367	C	70.4	Confident	85.9	Confident	14 Å²	14	27.8 Å²	27.8	10%	0.095	13%	0.132	C	C	.	.			trans	-78.7	89.5	175.8	-171	0	0	0	0	110.3	N352 M364 E365 E369 L370	N352-C367 VanDerWaalsContact ND2-C 3.31Å; N352-C367 PolarHBondContact ND2-O 3.14Å; M364-C367 HydrophobicContact CG-CB 4.33Å; M364-C367 HydrophobicContact SD-CB 3.69Å; E365-C367 PolarHBondContact O-N 3.4Å; C367-E369 PolarHBondContact O-N 2.96Å; C367-L370 HydrophobicContact CB-CB 4.38Å; C367-L370 HydrophobicContact CB-CD1 3.72Å; C367-L370 HydrophobicContact CB-CG 3.81Å; C367-L370 WeakPolarHBondContact O-CB 3.1Å; C367-L370 PolarHBondContact O-N 2.68Å
368	E	77.8	Confident	86.1	Confident	118 Å²	118	28 Å²	28	55%	0.551	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-30.3	178.4	-68.3	-171.4	174	0	0	113.2	R351 N352 N366 L370	R351-E368 HydrophobicContact CB-CG 4.04Å; N352-E368 WeakPolarHBondContact ND2-CA 3.42Å; N366-E368 PolarHBondContact O-N 3.19Å; E368-L370 VanDerWaalsContact C-N 3.34Å; E368-L370 PolarHBondContact O-N 3.49Å
369	E	82.7	Confident	86.4	Confident	82 Å²	82	29.8 Å²	29.8	38%	0.383	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.5	179.7	-61.6	-168.8	177.8	0	0	114.6	C367 S399 L402 R406	C367-E369 PolarHBondContact O-N 2.96Å; E369-S399 WeakPolarHBondContact OE2-CB 3.31Å; E369-L402 HydrophobicContact CB-CB 4.14Å; E369-L402 HydrophobicContact CB-CD1 4.19Å; E369-L402 WeakPolarHBondContact OE2-CD1 3.48Å; E369-R406 WeakPolarHBondContact O-CB 3.44Å; E369-R406 WeakPolarHBondContact O-CD 3.47Å
370	L	88.1	Confident	86.8	Confident	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-34.7	-178.4	-77.9	177.6	0	0	0	112.9	I354 L356 C367 E368 L402 I405 R406 L409	I354-L370 HydrophobicContact CG2-CD1 4.43Å; L356-L370 HydrophobicContact CB-CD1 4.32Å; C367-L370 HydrophobicContact CB-CB 4.38Å; C367-L370 HydrophobicContact CB-CD1 3.72Å; C367-L370 HydrophobicContact CB-CG 3.81Å; C367-L370 WeakPolarHBondContact O-CB 3.1Å; C367-L370 PolarHBondContact O-N 2.68Å; E368-L370 VanDerWaalsContact C-N 3.34Å; E368-L370 PolarHBondContact O-N 3.49Å; L370-L402 HydrophobicContact CD2-CD2 3.5Å; L370-L402 HydrophobicContact CG-CD2 3.95Å; L370-I405 HydrophobicContact CD2-CB 4.01Å; L370-I405 HydrophobicContact CD2-CD1 4.47Å; L370-I405 HydrophobicContact CD2-CG2 3.57Å; L370-R406 VanDerWaalsContact O-CA 3.3Å; L370-R406 WeakPolarHBondContact O-CA 3.33Å; L370-R406 VanDerWaalsContact O-CB 3.27Å; L370-R406 WeakPolarHBondContact O-CB 3.24Å; L370-R406 WeakPolarHBondContact O-CG 3.48Å; L370-L409 HydrophobicContact CB-CD1 4.37Å; L370-L409 HydrophobicContact CD2-CD1 4.33Å
371	M	90.7	Very high	87.2	Confident	7 Å²	7	25.6 Å²	25.6	3%	0.034	12%	0.124	C	C	.	.	S	Bend	trans	-134	140.6	-177.1	-78.5	-78.6	80.1	0	0	112.3	I354 L375 L409 V410	I354-M371 HydrophobicContact CD1-CG 3.41Å; I354-M371 VanDerWaalsContact CD1-CG 3.41Å; I354-M371 HydrophobicContact CD1-SD 4.02Å; I354-M371 HydrophobicContact CG1-CG 4.37Å; M371-L375 HydrophobicContact CE-CD1 4.3Å; M371-L375 HydrophobicContact SD-CB 3.97Å; M371-L375 HydrophobicContact SD-CD1 4.04Å; M371-L409 HydrophobicContact CE-CB 3.28Å; M371-L409 HydrophobicContact CE-CD1 4.1Å; M371-L409 HydrophobicContact CE-CG 4.35Å; M371-L409 HydrophobicContact SD-CB 4.25Å; M371-V410 HydrophobicContact CE-CB 4.44Å; M371-V410 HydrophobicContact CE-CG2 3.54Å
372	P	92.1	Very high	87.7	Confident	8 Å²	8	25.4 Å²	25.4	5%	0.052	12%	0.123	C	C	.	.			trans	-67.5	155.5	169.6	32.3	-34.3	0	0	0	110.6	Y374 L375 V410	P372-Y374 VanDerWaalsContact C-N 3.25Å; P372-Y374 HydrophobicContact CB-CD1 3.59Å; P372-Y374 HydrophobicContact CB-CE1 3.47Å; P372-Y374 VanDerWaalsContact CB-CE1 3.47Å; P372-Y374 HydrophobicContact CG-CD1 3.73Å; P372-Y374 HydrophobicContact CG-CE1 3.31Å; P372-Y374 HydrophobicContact CG-CG 4.47Å; P372-Y374 PolarHBondContact O-N 3.26Å; P372-L375 HydrophobicContact CG-CB 4.11Å; P372-L375 HydrophobicContact CG-CD1 3.83Å; P372-L375 HydrophobicContact CG-CG 3.89Å; P372-L375 PolarHBondContact O-N 3.01Å; P372-V410 HydrophobicContact CG-CG2 3.82Å
373	E	90.5	Very high	88	Confident	48 Å²	48	25.4 Å²	25.4	22%	0.224	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-55.5	-41.3	-176.2	-169.4	59.8	-146.7	0	0	112.5	R351 L375 N376 L440	R351-E373 VanDerWaalsContact CD-OE2 3.3Å; R351-E373 WeakPolarHBondContact CD-OE2 3.36Å; R351-E373 IonicContact CZ-OE2 3.98Å; R351-E373 IonicContact NE-OE2 2.84Å; R351-E373 IonicContact NH1-OE1 3.35Å; R351-E373 IonicContact NH1-OE2 3.53Å; R351-E373 PolarHBondContact NH1-OE2 2.84Å; E373-L375 PolarHBondContact O-N 3.33Å; E373-N376 WeakPolarHBondContact O-CB 3.3Å; E373-N376 PolarHBondContact O-N 2.95Å; E373-N376 PolarHBondContact OE1-ND2 3.47Å; E373-L440 HydrophobicContact CG-CD2 4.39Å
374	Y	94.2	Very high	88.2	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.008	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-62.2	-15.4	178.9	78.5	-94.1	0	0	0	114.2	P372 F377 V410 N437 D445 L452	P372-Y374 VanDerWaalsContact C-N 3.25Å; P372-Y374 HydrophobicContact CB-CD1 3.59Å; P372-Y374 HydrophobicContact CB-CE1 3.47Å; P372-Y374 VanDerWaalsContact CB-CE1 3.47Å; P372-Y374 HydrophobicContact CG-CD1 3.73Å; P372-Y374 HydrophobicContact CG-CE1 3.31Å; P372-Y374 HydrophobicContact CG-CG 4.47Å; P372-Y374 PolarHBondContact O-N 3.26Å; Y374-F377 WeakPolarHBondContact O-CE1 3.5Å; Y374-V410 WeakPolarHBondContact OH-CG1 3.46Å; Y374-N437 WeakPolarHBondContact CB-O 3.48Å; Y374-N437 VanDerWaalsContact O-CB 3.3Å; Y374-N437 WeakPolarHBondContact O-CB 3.2Å; Y374-N437 PolarHBondContact O-ND2 3.09Å; Y374-D445 HydrophobicContact CD1-CB 4.49Å; Y374-D445 HydrophobicContact CE1-CB 3.73Å; Y374-D445 WeakPolarHBondContact CE1-OD2 3.44Å; Y374-D445 PolarHBondContact OH-OD2 3.36Å; Y374-L452 HydrophobicContact CE2-CD1 4.19Å; Y374-L452 HydrophobicContact CE2-CD2 4.15Å
375	L	94.9	Very high	88.3	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-107.8	10.2	175.9	-61.8	-177.3	0	0	0	113.9	M371 P372 E373 F377 I378 V410 C413 F417	M371-L375 HydrophobicContact CE-CD1 4.3Å; M371-L375 HydrophobicContact SD-CB 3.97Å; M371-L375 HydrophobicContact SD-CD1 4.04Å; P372-L375 HydrophobicContact CG-CB 4.11Å; P372-L375 HydrophobicContact CG-CD1 3.83Å; P372-L375 HydrophobicContact CG-CG 3.89Å; P372-L375 PolarHBondContact O-N 3.01Å; E373-L375 PolarHBondContact O-N 3.33Å; L375-F377 HydrophobicContact CD2-CE1 4.26Å; L375-F377 HydrophobicContact CD2-CZ 4.45Å; L375-F377 PolarHBondContact O-N 3.14Å; L375-I378 HydrophobicContact CB-CD1 4.11Å; L375-I378 HydrophobicContact CD1-CD1 4.47Å; L375-I378 HydrophobicContact CD2-CD1 4.02Å; L375-I378 HydrophobicContact CG-CD1 4.43Å; L375-I378 WeakPolarHBondContact O-CB 3.49Å; L375-I378 PolarHBondContact O-N 3.49Å; L375-V410 HydrophobicContact CD1-CB 4.49Å; L375-V410 HydrophobicContact CD1-CG1 4.44Å; L375-V410 HydrophobicContact CD1-CG2 4.08Å; L375-C413 HydrophobicContact CD1-CB 3.89Å; L375-F417 HydrophobicContact CD2-CE2 3.67Å; L375-F417 HydrophobicContact CD2-CZ 3.69Å
376	N	91.2	Very high	88.4	Confident	20 Å²	20	27.1 Å²	27.1	11%	0.107	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-14.8	-175	-168.6	5.6	0	0	0	114.1	N352 S353 E373 I378	N352-N376 WeakPolarHBondContact CA-OD1 3.44Å; N352-N376 PolarHBondContact N-OD1 2.95Å; N352-N376 PolarHBondContact OD1-OD1 3.42Å; S353-N376 PolarHBondContact OG-O 3.01Å; E373-N376 WeakPolarHBondContact O-CB 3.3Å; E373-N376 PolarHBondContact O-N 2.95Å; E373-N376 PolarHBondContact OE1-ND2 3.47Å; N376-I378 VanDerWaalsContact C-N 3.34Å
377	F	93.2	Very high	89.1	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.009	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-20.5	173.1	66.7	-89.6	0	0	0	114.1	I336 P337 L344 Y374 L375 K379 F417 F430 F434 N437	I336-F377 HydrophobicContact CG1-CE2 4.42Å; I336-F377 HydrophobicContact CG2-CE2 4.28Å; P337-F377 WeakPolarHBondContact CD-O 3.48Å; L344-F377 HydrophobicContact CD1-CB 3.77Å; L344-F377 HydrophobicContact CD2-CB 4.39Å; Y374-F377 WeakPolarHBondContact O-CE1 3.5Å; L375-F377 HydrophobicContact CD2-CE1 4.26Å; L375-F377 HydrophobicContact CD2-CZ 4.45Å; L375-F377 PolarHBondContact O-N 3.14Å; F377-K379 PolarHBondContact O-N 3.06Å; F377-F417 HydrophobicContact CE2-CE1 4.41Å; F377-F417 HydrophobicContact CE2-CZ 4.4Å; F377-F417 HydrophobicContact CZ-CE1 4.09Å; F377-F417 AromaticContact CZ-CZ 3.71Å; F377-F417 HydrophobicContact CZ-CZ 3.71Å; F377-F430 AromaticContact CE2-CE2 3.97Å; F377-F430 HydrophobicContact CE2-CE2 3.97Å; F377-F430 HydrophobicContact CZ-CE2 4.01Å; F377-F430 HydrophobicContact CZ-CZ 4.36Å; F377-F434 HydrophobicContact CB-CD1 3.85Å; F377-F434 HydrophobicContact CB-CE1 3.51Å; F377-F434 HydrophobicContact CB-CZ 4.37Å; F377-F434 AromaticContact CD1-CD1 3.89Å; F377-F434 HydrophobicContact CD1-CD1 3.89Å; F377-F434 HydrophobicContact CD1-CE1 4.4Å; F377-F434 HydrophobicContact CD1-CG 4.49Å; F377-F434 AromaticContact CD2-CD1 3.61Å; F377-F434 HydrophobicContact CD2-CD1 3.61Å; F377-F434 HydrophobicContact CD2-CD2 4.28Å; F377-F434 AromaticContact CD2-CE1 3.57Å; F377-F434 HydrophobicContact CD2-CE1 3.57Å; F377-F434 HydrophobicContact CD2-CE2 4.24Å; F377-F434 AromaticContact CD2-CG 3.98Å; F377-F434 HydrophobicContact CD2-CG 3.98Å; F377-F434 AromaticContact CD2-CZ 3.89Å; F377-F434 HydrophobicContact CD2-CZ 3.89Å; F377-F434 HydrophobicContact CE1-CB 4.37Å; F377-F434 HydrophobicContact CE1-CD1 4.31Å; F377-F434 HydrophobicContact CE1-CG 4.46Å; F377-F434 HydrophobicContact CE2-CB 4.44Å; F377-F434 HydrophobicContact CE2-CD1 4.06Å; F377-F434 HydrophobicContact CE2-CD2 4.19Å; F377-F434 HydrophobicContact CE2-CE1 4.37Å; F377-F434 HydrophobicContact CE2-CE2 4.47Å; F377-F434 AromaticContact CE2-CG 3.96Å; F377-F434 HydrophobicContact CE2-CG 3.96Å; F377-F434 AromaticContact CG-CD1 3.51Å; F377-F434 HydrophobicContact CG-CD1 3.51Å; F377-F434 AromaticContact CG-CE1 3.58Å; F377-F434 HydrophobicContact CG-CE1 3.58Å; F377-F434 HydrophobicContact CG-CG 4.24Å; F377-F434 HydrophobicContact CG-CZ 4.35Å; F377-F434 HydrophobicContact CZ-CB 4.2Å; F377-F434 HydrophobicContact CZ-CD1 4.37Å; F377-F434 HydrophobicContact CZ-CG 4.19Å; F377-N437 HydrophobicContact CD1-CB 3.96Å; F377-N437 HydrophobicContact CE1-CB 3.7Å
378	I	94.8	Very high	89.6	Confident	4 Å²	4	26.7 Å²	26.7	2%	0.021	13%	0.133	C	C	.	.			trans	-71.2	123.1	-177.2	-63.1	-177.2	0	0	0	109.8	L334 S353 L375 N376 C413 F417	L334-I378 HydrophobicContact CB-CG2 4.01Å; L334-I378 HydrophobicContact CD2-CG2 4.13Å; S353-I378 WeakPolarHBondContact CB-O 3.38Å; L375-I378 HydrophobicContact CB-CD1 4.11Å; L375-I378 HydrophobicContact CD1-CD1 4.47Å; L375-I378 HydrophobicContact CD2-CD1 4.02Å; L375-I378 HydrophobicContact CG-CD1 4.43Å; L375-I378 WeakPolarHBondContact O-CB 3.49Å; L375-I378 PolarHBondContact O-N 3.49Å; N376-I378 VanDerWaalsContact C-N 3.34Å; I378-C413 HydrophobicContact CD1-CB 3.71Å; I378-C413 WeakPolarHBondContact CD1-SG 3.22Å; I378-F417 HydrophobicContact CD1-CZ 4.07Å
379	K	94	Very high	89.7	Confident	48 Å²	48	21.8 Å²	21.8	21%	0.209	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	147.8	177.5	-55.8	-85.2	149.1	-171.8	0	108.5	Y306 T310 L334 F335 P337 S353 F377	Y306-K379 HydrophobicContact CE2-CB 4.3Å; Y306-K379 HydrophobicContact CE2-CG 4.32Å; T310-K379 HydrophobicContact CG2-CB 3.84Å; T310-K379 HydrophobicContact CG2-CD 3.82Å; T310-K379 HydrophobicContact CG2-CG 3.86Å; L334-K379 CarbonylContact C-O 3.52Å; F335-K379 HydrophobicContact CB-CB 4.35Å; F335-K379 PolarHBondContact N-O 3.21Å; F335-K379 PolarHBondContact O-N 3.28Å; P337-K379 HydrophobicContact CG-CG 3.9Å; S353-K379 WeakPolarHBondContact OG-CE 3.5Å; S353-K379 PolarHBondContact OG-NZ 3.23Å; F377-K379 PolarHBondContact O-N 3.06Å
380	G	94.2	Very high	89.7	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-177.1	178.3	0	0	0	0	0	116.5	L333 S353 I354 K355	L333-G380 CarbonylContact O-C 3.56Å; L333-G380 WeakPolarHBondContact O-CA 3.36Å; S353-G380 PolarHBondContact O-N 3.1Å; I354-G380 WeakPolarHBondContact CA-O 3.47Å; K355-G380 PolarHBondContact N-O 2.87Å
381	V	94.3	Very high	89.3	Confident	1 Å²	1	22.7 Å²	22.7	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	136.4	176	173.3	0	0	0	0	108.3	W290 F305 L309 A332 L333 K355 Y357	W290-V381 HydrophobicContact CD2-CG1 4.27Å; W290-V381 HydrophobicContact CE3-CB 4.4Å; W290-V381 HydrophobicContact CE3-CG1 3.96Å; W290-V381 HydrophobicContact CH2-CG1 3.83Å; W290-V381 HydrophobicContact CZ2-CG1 4.17Å; W290-V381 HydrophobicContact CZ3-CB 4.3Å; W290-V381 HydrophobicContact CZ3-CG1 3.76Å; W290-V381 HydrophobicContact CZ3-CG2 4.35Å; F305-V381 HydrophobicContact CE1-CG2 4.41Å; F305-V381 HydrophobicContact CZ-CG2 4.07Å; L309-V381 HydrophobicContact CD1-CG2 3.76Å; L309-V381 HydrophobicContact CD2-CG2 3.92Å; A332-V381 WeakPolarHBondContact CA-O 3.34Å; L333-V381 PolarHBondContact N-O 3.38Å; L333-V381 PolarHBondContact O-N 3.42Å; K355-V381 WeakPolarHBondContact O-CA 3.27Å; Y357-V381 HydrophobicContact CD2-CG1 3.54Å; Y357-V381 HydrophobicContact CE2-CG1 3.86Å; Y357-V381 HydrophobicContact CE2-CG2 4.13Å; Y357-V381 HydrophobicContact CG-CG1 4.44Å
382	V	94.3	Very high	88.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.2	166.9	175.8	0	0	0	0	106.6	F330 A332 I354 K355 L356 Y357 I405 L409	F330-V382 HydrophobicContact CB-CG1 4.39Å; F330-V382 HydrophobicContact CD2-CG1 3.81Å; F330-V382 HydrophobicContact CE2-CG1 4.42Å; F330-V382 HydrophobicContact CG-CG1 4.31Å; A332-V382 HydrophobicContact CB-CG2 4.05Å; I354-V382 HydrophobicContact CG2-CB 4.46Å; I354-V382 HydrophobicContact CG2-CG2 3.69Å; K355-V382 PolarHBondContact O-N 3.12Å; L356-V382 HydrophobicContact CD1-CB 4.01Å; L356-V382 HydrophobicContact CD1-CG1 3.83Å; Y357-V382 PolarHBondContact N-O 2.78Å; V382-I405 HydrophobicContact CG1-CG2 4.24Å; V382-L409 HydrophobicContact CG2-CD1 4.18Å; V382-L409 HydrophobicContact CG2-CD2 3.79Å
383	D	93.7	Very high	88.2	Confident	6 Å²	6	23.2 Å²	23.2	3%	0.032	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.3	176.3	-170	24.1	0	0	0	109.4	W290 F330 R331 Y357 R359 R360	W290-D383 HydrophobicContact CZ2-CB 4.14Å; W290-D383 PolarHBondContact NE1-OD2 2.68Å; F330-D383 CarbonylContact C-O 3.58Å; F330-D383 VanDerWaalsContact CA-O 3.25Å; F330-D383 WeakPolarHBondContact CA-O 3.43Å; F330-D383 WeakPolarHBondContact CB-O 3.32Å; R331-D383 PolarHBondContact N-O 3.32Å; R331-D383 PolarHBondContact O-N 3.01Å; Y357-D383 WeakPolarHBondContact CB-OD1 3.3Å; Y357-D383 WeakPolarHBondContact O-CA 3.35Å; R359-D383 PolarHBondContact N-OD1 3.39Å; R360-D383 WeakPolarHBondContact CG-OD2 3.31Å; R360-D383 PolarHBondContact N-OD1 3.49Å; R360-D383 PolarHBondContact N-OD2 3.37Å
384	S	91	Very high	87.6	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.8	-180	-177.2	0	0	0	0	110.4	E329 Y357 V358 R359 L387	E329-S384 WeakPolarHBondContact O-CB 3.35Å; E329-S384 PolarHBondContact O-OG 3.37Å; Y357-S384 PolarHBondContact O-N 3.1Å; Y357-S384 VanDerWaalsContact O-N 3.14Å; V358-S384 CarbonylContact C-O 3.49Å; V358-S384 WeakPolarHBondContact CA-O 3.19Å; R359-S384 PolarHBondContact N-O 3.19Å; S384-L387 WeakPolarHBondContact OG-CG 3.39Å
385	E	84.2	Confident	86.8	Confident	56 Å²	56	28.6 Å²	28.6	26%	0.262	15%	0.146	S	C	.	.	S	Bend	trans	-86.5	-26.1	179.2	-62.8	-67.4	151.9	0	0	111.7	S127 R359 R360	S127-E385 VanDerWaalsContact CB-OE2 3.29Å; S127-E385 WeakPolarHBondContact CB-OE2 3.27Å; S127-E385 PolarHBondContact OG-OE2 3.11Å; R359-E385 WeakPolarHBondContact CG-OE2 3.48Å; R359-E385 PolarHBondContact NE-O 3.09Å; R359-E385 IonicContact NH1-OE2 3.67Å; R359-E385 PolarHBondContact NH2-O 3.42Å; R360-E385 IonicContact NH1-OE1 3.66Å
386	D	80.8	Confident	86	Confident	100 Å²	100	29.7 Å²	29.7	54%	0.535	15%	0.151	S	C	.	.	S	Bend	trans	-126.4	28.1	-162	-67.5	-24.3	0	0	0	115	R359	R359-D386 IonicContact NH2-OD1 3.71Å; R359-D386 PolarHBondContact NH2-OD1 3.36Å
387	L	83.5	Confident	85.3	Confident	12 Å²	12	34.6 Å²	34.6	6%	0.063	17%	0.174	C	C	.	.			trans	-77	132.1	176.4	-71.8	179.7	0	0	0	112.8	L328 L356 V358 S384 L389 L396 I401 I405	L328-L387 HydrophobicContact CD1-CD2 3.68Å; L356-L387 HydrophobicContact CD1-CD1 3.96Å; L356-L387 HydrophobicContact CD2-CD1 4.17Å; L356-L387 HydrophobicContact CG-CD1 4.45Å; V358-L387 HydrophobicContact CG2-CB 3.71Å; V358-L387 HydrophobicContact CG2-CD1 3.75Å; V358-L387 HydrophobicContact CG2-CG 4.15Å; S384-L387 WeakPolarHBondContact OG-CG 3.39Å; L387-L389 PolarHBondContact O-N 2.76Å; L387-L396 HydrophobicContact CB-CD2 3.68Å; L387-L396 HydrophobicContact CD1-CD1 4.49Å; L387-L396 HydrophobicContact CD1-CD2 3.94Å; L387-L396 HydrophobicContact CD2-CD2 4.34Å; L387-L396 HydrophobicContact CG-CD2 4.19Å; L387-I401 HydrophobicContact CD2-CB 4.49Å; L387-I401 HydrophobicContact CD2-CG2 3.39Å; L387-I405 HydrophobicContact CD1-CD1 4.41Å; L387-I405 HydrophobicContact CD2-CD1 4.32Å
388	P	80.8	Confident	84.4	Confident	43 Å²	43	39.5 Å²	39.5	28%	0.279	20%	0.197	S	C	.	.			trans	-74.1	98.7	175	29.9	-33.4	0	0	0	110.7	Q397 I401	P388-Q397 PolarHBondContact O-N 2.86Å; P388-Q397 VanDerWaalsContact O-N 3.16Å; P388-I401 VanDerWaalsContact CD-CD1 3.42Å; P388-I401 HydrophobicContact CG-CD1 3.48Å; P388-I401 VanDerWaalsContact CG-CD1 3.48Å
389	L	81.3	Confident	83.5	Confident	16 Å²	16	42.2 Å²	42.2	8%	0.084	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-78.3	148.4	177.2	-64.1	177.9	0	0	0	112.1	V358 I363 L387 R393 L396 Q397	V358-L389 HydrophobicContact CB-CD1 4.17Å; V358-L389 HydrophobicContact CB-CD2 4.5Å; V358-L389 HydrophobicContact CG1-CD1 4.02Å; V358-L389 HydrophobicContact CG1-CG 4.43Å; V358-L389 HydrophobicContact CG2-CD2 4Å; V358-L389 HydrophobicContact CG2-CG 4.48Å; I363-L389 HydrophobicContact CB-CD2 4.47Å; I363-L389 HydrophobicContact CD1-CD1 3.61Å; I363-L389 HydrophobicContact CD1-CD2 3.81Å; I363-L389 HydrophobicContact CD1-CG 4.38Å; I363-L389 HydrophobicContact CG1-CD1 4.47Å; I363-L389 HydrophobicContact CG1-CD2 3.9Å; I363-L389 HydrophobicContact CG2-CD2 3.75Å; L387-L389 PolarHBondContact O-N 2.76Å; L389-R393 HydrophobicContact CD1-CB 4.27Å; L389-R393 HydrophobicContact CD1-CG 4.21Å; L389-L396 HydrophobicContact CD2-CD2 4.02Å; L389-Q397 PolarHBondContact O-NE2 3.46Å
390	N	81.1	Confident	83.1	Confident	32 Å²	32	47.8 Å²	47.8	17%	0.171	24%	0.24	C	C	.	.			trans	-70	173	167.1	77.2	-16.8	0	0	0	111.2	S392 R393 E394 M395 Q397	N390-S392 VanDerWaalsContact C-N 3.25Å; N390-S392 PolarHBondContact ND2-OG 3.32Å; N390-S392 PolarHBondContact O-N 2.91Å; N390-S392 PolarHBondContact OD1-N 3.25Å; N390-S392 PolarHBondContact OD1-OG 3.11Å; N390-R393 PolarHBondContact O-N 2.99Å; N390-R393 VanDerWaalsContact O-N 3.07Å; N390-R393 WeakPolarHBondContact OD1-CA 3.27Å; N390-R393 PolarHBondContact OD1-N 2.91Å; N390-E394 PolarHBondContact OD1-N 3.46Å; N390-E394 VanDerWaalsContact OD1-N 3.15Å; N390-M395 VanDerWaalsContact CB-O 3.32Å; N390-M395 WeakPolarHBondContact CB-O 3.3Å; N390-M395 PolarHBondContact N-O 2.9Å; N390-M395 PolarHBondContact OD1-N 2.91Å; N390-M395 PolarHBondContact OD1-O 3.44Å; N390-Q397 HydrophobicContact CB-CG 4.08Å
391	I	80.1	Confident	82.7	Confident	70 Å²	70	49.2 Å²	49.2	36%	0.359	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.4	-177.7	-163.7	151.9	0	0	0	113.5	F35 V134 R393	F35-I391 HydrophobicContact CD2-CD1 3.88Å; F35-I391 HydrophobicContact CD2-CG1 3.93Å; F35-I391 HydrophobicContact CD2-CG2 4.22Å; F35-I391 HydrophobicContact CE2-CD1 3.36Å; F35-I391 HydrophobicContact CE2-CG1 3.96Å; F35-I391 HydrophobicContact CG-CG2 4.36Å; F35-I391 HydrophobicContact CZ-CD1 4.04Å; V134-I391 HydrophobicContact CG2-CG1 4.2Å; I391-R393 VanDerWaalsContact C-N 3.3Å
392	S	79.2	Confident	82.4	Confident	7 Å²	7	49.6 Å²	49.6	5%	0.049	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-13.7	177.1	75.8	0	0	0	0	113.4	F35 R44 N390 E394	F35-S392 WeakPolarHBondContact O-CB 3.35Å; R44-S392 PolarHBondContact NH2-O 3.12Å; N390-S392 VanDerWaalsContact C-N 3.25Å; N390-S392 PolarHBondContact ND2-OG 3.32Å; N390-S392 PolarHBondContact O-N 2.91Å; N390-S392 PolarHBondContact OD1-N 3.25Å; N390-S392 PolarHBondContact OD1-OG 3.11Å; S392-E394 PolarHBondContact O-N 3.27Å; S392-E394 WeakPolarHBondContact OG-CB 3.43Å; S392-E394 PolarHBondContact OG-N 3.06Å
393	R	80.5	Confident	82.1	Confident	19 Å²	19	56.2 Å²	56.2	7%	0.072	28%	0.278	C	S	.	.	S	Bend	trans	54.2	24.9	-169	-53.9	172.2	-177.7	-103	4.6	114	E45 I129 F132 I363 L389 N390 I391	E45-R393 IonicContact OE2-NE 3.92Å; I129-R393 VanDerWaalsContact O-CZ 3.26Å; I129-R393 PolarHBondContact O-NH1 3.36Å; I129-R393 PolarHBondContact O-NH2 3.01Å; F132-R393 HydrophobicContact CE2-CG 4.06Å; I363-R393 HydrophobicContact CD1-CB 4.47Å; L389-R393 HydrophobicContact CD1-CB 4.27Å; L389-R393 HydrophobicContact CD1-CG 4.21Å; N390-R393 PolarHBondContact O-N 2.99Å; N390-R393 VanDerWaalsContact O-N 3.07Å; N390-R393 WeakPolarHBondContact OD1-CA 3.27Å; N390-R393 PolarHBondContact OD1-N 2.91Å; I391-R393 VanDerWaalsContact C-N 3.3Å
394	E	78.8	Confident	82	Confident	38 Å²	38	59.5 Å²	59.5	18%	0.178	30%	0.298	C	S	.	.	S	Bend	trans	-104.8	-20.3	176.5	-60.9	-179.9	154.5	0	0	111.7	S37 I41 N390 S392	S37-E394 PolarHBondContact OG-OE2 3.33Å; I41-E394 VanDerWaalsContact CG2-OE1 3.25Å; I41-E394 WeakPolarHBondContact CG2-OE1 3.39Å; N390-E394 PolarHBondContact OD1-N 3.46Å; N390-E394 VanDerWaalsContact OD1-N 3.15Å; S392-E394 PolarHBondContact O-N 3.27Å; S392-E394 WeakPolarHBondContact OG-CB 3.43Å; S392-E394 PolarHBondContact OG-N 3.06Å
395	M	77	Confident	82.1	Confident	125 Å²	125	59.4 Å²	59.4	62%	0.616	30%	0.298	S	S	*	.	S	Bend	trans	-133	151.3	-179.1	-59	-179.2	72.3	0	0	111.7	N390	N390-M395 VanDerWaalsContact CB-O 3.32Å; N390-M395 WeakPolarHBondContact CB-O 3.3Å; N390-M395 PolarHBondContact N-O 2.9Å; N390-M395 PolarHBondContact OD1-N 2.91Å; N390-M395 PolarHBondContact OD1-O 3.44Å
396	L	79.2	Confident	82.5	Confident	23 Å²	23	61.6 Å²	61.6	12%	0.12	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	-82.2	141.5	170.6	-72.9	163.4	0	0	0	110	L356 M364 L387 L389 L402	L356-L396 HydrophobicContact CD2-CD1 3.52Å; L356-L396 HydrophobicContact CD2-CG 4.18Å; M364-L396 HydrophobicContact CE-CB 4.36Å; M364-L396 HydrophobicContact CE-CD1 4.21Å; M364-L396 HydrophobicContact CE-CG 3.98Å; L387-L396 HydrophobicContact CB-CD2 3.68Å; L387-L396 HydrophobicContact CD1-CD1 4.49Å; L387-L396 HydrophobicContact CD1-CD2 3.94Å; L387-L396 HydrophobicContact CD2-CD2 4.34Å; L387-L396 HydrophobicContact CG-CD2 4.19Å; L389-L396 HydrophobicContact CD2-CD2 4.02Å; L396-L402 HydrophobicContact CD1-CD1 3.95Å; L396-L402 HydrophobicContact CD1-CD2 3.39Å; L396-L402 HydrophobicContact CD1-CG 3.69Å
397	Q	75.7	Confident	83.1	Confident	124 Å²	124	64.6 Å²	64.6	58%	0.579	31%	0.312	S	S	*	.	S	Bend	trans	-74.6	-28.5	179.5	-62.1	-174.1	3.2	0	0	113.1	P388 L389 N390	P388-Q397 PolarHBondContact O-N 2.86Å; P388-Q397 VanDerWaalsContact O-N 3.16Å; L389-Q397 PolarHBondContact O-NE2 3.46Å; N390-Q397 HydrophobicContact CB-CG 4.08Å
398	Q	73.7	Confident	83.6	Confident	105 Å²	105	66.1 Å²	66.1	49%	0.491	32%	0.32	S	S	.	.			trans	-124.1	108.7	-171.5	-64.4	-171.9	-2	0	0	112.7	K400 I401	Q398-K400 PolarHBondContact O-N 3.43Å; Q398-I401 HydrophobicContact CB-CD1 4.17Å; Q398-I401 HydrophobicContact CB-CG1 4.33Å; Q398-I401 PolarHBondContact O-N 3.19Å
399	S	75.9	Confident	84.3	Confident	60 Å²	60	64.1 Å²	64.1	42%	0.42	31%	0.307	S	S	.	.	H	α-helix	trans	-65.2	-19.9	176	59	0	0	0	0	114.2	E369 I401 L402 K403	E369-S399 WeakPolarHBondContact OE2-CB 3.31Å; S399-I401 VanDerWaalsContact C-N 3.28Å; S399-I401 PolarHBondContact O-N 3.44Å; S399-L402 WeakPolarHBondContact O-CB 3.11Å; S399-L402 PolarHBondContact O-N 3.19Å; S399-K403 PolarHBondContact O-N 3.27Å
400	K	85.1	Confident	85.1	Confident	166 Å²	166	63.7 Å²	63.7	72%	0.722	31%	0.305	S	S	*	.	H	α-helix	trans	-61.6	-36.2	176.7	-70.1	-175.3	-179.3	178.6	0	112.5	Q398 K403 V404	Q398-K400 PolarHBondContact O-N 3.43Å; K400-K403 PolarHBondContact O-N 3.43Å; K400-V404 PolarHBondContact O-N 3.47Å
401	I	86.8	Confident	85.8	Confident	29 Å²	29	67.7 Å²	67.7	15%	0.149	32%	0.321	C	S	.	.	H	α-helix	trans	-67.1	-41.3	179.9	-61.5	173.4	0	0	0	110.2	L328 L387 P388 Q398 S399 K403 V404 I405	L328-I401 HydrophobicContact CD1-CG2 3.66Å; L328-I401 HydrophobicContact CD2-CG2 3.75Å; L328-I401 HydrophobicContact CG-CG2 4.35Å; L387-I401 HydrophobicContact CD2-CB 4.49Å; L387-I401 HydrophobicContact CD2-CG2 3.39Å; P388-I401 VanDerWaalsContact CD-CD1 3.42Å; P388-I401 HydrophobicContact CG-CD1 3.48Å; P388-I401 VanDerWaalsContact CG-CD1 3.48Å; Q398-I401 HydrophobicContact CB-CD1 4.17Å; Q398-I401 HydrophobicContact CB-CG1 4.33Å; Q398-I401 PolarHBondContact O-N 3.19Å; S399-I401 VanDerWaalsContact C-N 3.28Å; S399-I401 PolarHBondContact O-N 3.44Å; I401-K403 VanDerWaalsContact C-N 3.29Å; I401-K403 PolarHBondContact O-N 2.9Å; I401-V404 WeakPolarHBondContact O-CB 3.37Å; I401-V404 PolarHBondContact O-N 2.82Å; I401-I405 HydrophobicContact CG2-CD1 4.15Å; I401-I405 HydrophobicContact CG2-CG1 4.45Å; I401-I405 WeakPolarHBondContact O-CG1 3.46Å; I401-I405 PolarHBondContact O-N 3.32Å
402	L	87.6	Confident	86.6	Confident	10 Å²	10	67.2 Å²	67.2	5%	0.052	32%	0.316	C	S	.	.	H	α-helix	trans	-58.2	-39.3	176	-71.1	172.8	0	0	0	112.4	E369 L370 L396 S399 V404 I405 R406	E369-L402 HydrophobicContact CB-CB 4.14Å; E369-L402 HydrophobicContact CB-CD1 4.19Å; E369-L402 WeakPolarHBondContact OE2-CD1 3.48Å; L370-L402 HydrophobicContact CD2-CD2 3.5Å; L370-L402 HydrophobicContact CG-CD2 3.95Å; L396-L402 HydrophobicContact CD1-CD1 3.95Å; L396-L402 HydrophobicContact CD1-CD2 3.39Å; L396-L402 HydrophobicContact CD1-CG 3.69Å; S399-L402 WeakPolarHBondContact O-CB 3.11Å; S399-L402 PolarHBondContact O-N 3.19Å; L402-V404 VanDerWaalsContact C-N 3.33Å; L402-V404 PolarHBondContact O-N 3.48Å; L402-I405 PolarHBondContact O-N 2.97Å; L402-R406 WeakPolarHBondContact O-CB 3.42Å; L402-R406 PolarHBondContact O-N 3.38Å
403	K	88.7	Confident	87.5	Confident	139 Å²	139	66.9 Å²	66.9	60%	0.604	31%	0.314	S	S	*	.	H	α-helix	trans	-62.6	-37.1	175	-66.5	-178.1	-180	-178.1	0	112.9	S399 K400 I401 K407	S399-K403 PolarHBondContact O-N 3.27Å; K400-K403 PolarHBondContact O-N 3.43Å; I401-K403 VanDerWaalsContact C-N 3.29Å; I401-K403 PolarHBondContact O-N 2.9Å; K403-K407 PolarHBondContact O-N 2.66Å
404	V	91	Very high	88.3	Confident	74 Å²	74	66 Å²	66	45%	0.448	31%	0.311	S	S	.	.	H	α-helix	trans	-69.1	-45.8	176.6	178.1	0	0	0	0	110.5	L328 K400 I401 L402 R406 K407 N408	L328-V404 HydrophobicContact CD2-CG1 4.28Å; K400-V404 PolarHBondContact O-N 3.47Å; I401-V404 WeakPolarHBondContact O-CB 3.37Å; I401-V404 PolarHBondContact O-N 2.82Å; L402-V404 VanDerWaalsContact C-N 3.33Å; L402-V404 PolarHBondContact O-N 3.48Å; V404-R406 VanDerWaalsContact C-N 3.34Å; V404-R406 PolarHBondContact O-N 3.39Å; V404-K407 PolarHBondContact O-N 3.21Å; V404-N408 PolarHBondContact O-N 3.24Å; V404-N408 PolarHBondContact O-ND2 3.18Å
405	I	92.5	Very high	89.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-57.2	-49.5	174.3	-62.4	175	0	0	0	109.7	L328 F330 L370 V382 L387 I401 L402 K407 N408 L409	L328-I405 HydrophobicContact CD2-CD1 4.07Å; L328-I405 HydrophobicContact CD2-CG1 3.42Å; L328-I405 VanDerWaalsContact CD2-CG1 3.42Å; F330-I405 HydrophobicContact CD1-CG1 4.4Å; F330-I405 HydrophobicContact CE1-CG1 4.15Å; F330-I405 HydrophobicContact CE2-CG2 4.32Å; F330-I405 HydrophobicContact CZ-CG2 4.17Å; L370-I405 HydrophobicContact CD2-CB 4.01Å; L370-I405 HydrophobicContact CD2-CD1 4.47Å; L370-I405 HydrophobicContact CD2-CG2 3.57Å; V382-I405 HydrophobicContact CG1-CG2 4.24Å; L387-I405 HydrophobicContact CD1-CD1 4.41Å; L387-I405 HydrophobicContact CD2-CD1 4.32Å; I401-I405 HydrophobicContact CG2-CD1 4.15Å; I401-I405 HydrophobicContact CG2-CG1 4.45Å; I401-I405 WeakPolarHBondContact O-CG1 3.46Å; I401-I405 PolarHBondContact O-N 3.32Å; L402-I405 PolarHBondContact O-N 2.97Å; I405-K407 VanDerWaalsContact C-N 3.34Å; I405-K407 PolarHBondContact O-N 3.24Å; I405-N408 PolarHBondContact O-N 2.69Å; I405-N408 VanDerWaalsContact O-N 3.1Å; I405-L409 HydrophobicContact CG2-CD1 3.65Å; I405-L409 HydrophobicContact CG2-CG 3.94Å; I405-L409 WeakPolarHBondContact O-CG 3.42Å; I405-L409 PolarHBondContact O-N 3.2Å
406	R	93.2	Very high	90.1	Very high	101 Å²	101	60.2 Å²	60.2	38%	0.381	28%	0.284	S	S	.	.	H	α-helix	trans	-53.6	-47.6	177.4	175	172	165.8	-172.8	1.3	112.3	E369 L370 L402 V404 N408 L409 V410	E369-R406 WeakPolarHBondContact O-CB 3.44Å; E369-R406 WeakPolarHBondContact O-CD 3.47Å; L370-R406 VanDerWaalsContact O-CA 3.3Å; L370-R406 WeakPolarHBondContact O-CA 3.33Å; L370-R406 VanDerWaalsContact O-CB 3.27Å; L370-R406 WeakPolarHBondContact O-CB 3.24Å; L370-R406 WeakPolarHBondContact O-CG 3.48Å; L402-R406 WeakPolarHBondContact O-CB 3.42Å; L402-R406 PolarHBondContact O-N 3.38Å; V404-R406 VanDerWaalsContact C-N 3.34Å; V404-R406 PolarHBondContact O-N 3.39Å; R406-N408 VanDerWaalsContact C-N 3.3Å; R406-N408 PolarHBondContact O-N 3.22Å; R406-L409 PolarHBondContact O-N 2.91Å; R406-V410 HydrophobicContact CG-CG2 4.18Å; R406-V410 WeakPolarHBondContact O-CB 3.27Å; R406-V410 VanDerWaalsContact O-CG2 3.26Å; R406-V410 WeakPolarHBondContact O-CG2 3.35Å; R406-V410 PolarHBondContact O-N 3.35Å
407	K	93.7	Very high	91	Very high	163 Å²	163	59.2 Å²	59.2	71%	0.709	28%	0.278	S	S	*	.	H	α-helix	trans	-58.8	-42.4	179.2	-174.4	178.9	178.9	-179.6	0	112	K403 V404 I405 K411	K403-K407 PolarHBondContact O-N 2.66Å; V404-K407 PolarHBondContact O-N 3.21Å; I405-K407 VanDerWaalsContact C-N 3.34Å; I405-K407 PolarHBondContact O-N 3.24Å; K407-K411 WeakPolarHBondContact O-CB 3.47Å; K407-K411 PolarHBondContact O-N 2.71Å; K407-K411 VanDerWaalsContact O-N 3.09Å
408	N	94.9	Very high	92	Very high	45 Å²	45	56.1 Å²	56.1	24%	0.241	27%	0.265	C	S	.	.	H	α-helix	trans	-70.1	-43.8	178.2	-75.4	-33.9	0	0	0	112.2	V324 F330 V404 I405 R406 K411 K412	V324-N408 HydrophobicContact CG2-CB 4.32Å; F330-N408 HydrophobicContact CZ-CB 3.89Å; V404-N408 PolarHBondContact O-N 3.24Å; V404-N408 PolarHBondContact O-ND2 3.18Å; I405-N408 PolarHBondContact O-N 2.69Å; I405-N408 VanDerWaalsContact O-N 3.1Å; R406-N408 VanDerWaalsContact C-N 3.3Å; R406-N408 PolarHBondContact O-N 3.22Å; N408-K411 PolarHBondContact O-N 3.4Å; N408-K412 WeakPolarHBondContact O-CG 3.06Å; N408-K412 PolarHBondContact O-N 3.35Å
409	L	95.6	Very high	93	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.7	-51	175.1	-68.5	172.6	0	0	0	110.4	F322 A332 L334 I354 L370 M371 V382 I405 R406 K411 K412 C413	F322-L409 HydrophobicContact CE1-CD2 4.33Å; F322-L409 HydrophobicContact CZ-CD2 3.71Å; A332-L409 HydrophobicContact CB-CD2 4.23Å; L334-L409 HydrophobicContact CD1-CD2 4.21Å; L334-L409 HydrophobicContact CD2-CD2 3.92Å; L334-L409 HydrophobicContact CG-CD2 4.47Å; I354-L409 HydrophobicContact CD1-CD1 4.32Å; L370-L409 HydrophobicContact CB-CD1 4.37Å; L370-L409 HydrophobicContact CD2-CD1 4.33Å; M371-L409 HydrophobicContact CE-CB 3.28Å; M371-L409 HydrophobicContact CE-CD1 4.1Å; M371-L409 HydrophobicContact CE-CG 4.35Å; M371-L409 HydrophobicContact SD-CB 4.25Å; V382-L409 HydrophobicContact CG2-CD1 4.18Å; V382-L409 HydrophobicContact CG2-CD2 3.79Å; I405-L409 HydrophobicContact CG2-CD1 3.65Å; I405-L409 HydrophobicContact CG2-CG 3.94Å; I405-L409 WeakPolarHBondContact O-CG 3.42Å; I405-L409 PolarHBondContact O-N 3.2Å; R406-L409 PolarHBondContact O-N 2.91Å; L409-K411 VanDerWaalsContact C-N 3.33Å; L409-K411 PolarHBondContact O-N 3.36Å; L409-K412 PolarHBondContact O-N 3.49Å; L409-K412 VanDerWaalsContact O-N 3.09Å; L409-C413 PolarHBondContact O-N 3.1Å; L409-C413 PolarHBondContact O-SG 2.81Å
410	V	96.2	Very high	94	Very high	8 Å²	8	53.2 Å²	53.2	5%	0.048	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-47.2	178.9	172.2	0	0	0	0	110.6	M371 P372 Y374 L375 R406 K412 C413 L414 N448	M371-V410 HydrophobicContact CE-CB 4.44Å; M371-V410 HydrophobicContact CE-CG2 3.54Å; P372-V410 HydrophobicContact CG-CG2 3.82Å; Y374-V410 WeakPolarHBondContact OH-CG1 3.46Å; L375-V410 HydrophobicContact CD1-CB 4.49Å; L375-V410 HydrophobicContact CD1-CG1 4.44Å; L375-V410 HydrophobicContact CD1-CG2 4.08Å; R406-V410 HydrophobicContact CG-CG2 4.18Å; R406-V410 WeakPolarHBondContact O-CB 3.27Å; R406-V410 VanDerWaalsContact O-CG2 3.26Å; R406-V410 WeakPolarHBondContact O-CG2 3.35Å; R406-V410 PolarHBondContact O-N 3.35Å; V410-K412 VanDerWaalsContact C-N 3.31Å; V410-K412 PolarHBondContact O-N 3.45Å; V410-C413 PolarHBondContact O-N 2.93Å; V410-L414 HydrophobicContact CG1-CD1 4.18Å; V410-L414 HydrophobicContact CG1-CG 4.47Å; V410-L414 WeakPolarHBondContact O-CG 3.01Å; V410-L414 PolarHBondContact O-N 2.91Å; V410-N448 WeakPolarHBondContact CG1-ND2 3.2Å
411	K	96.7	Very high	94.4	Very high	115 Å²	115	46.5 Å²	46.5	50%	0.5	22%	0.222	S	C	.	.	H	α-helix	trans	-55.4	-47.4	177	-177.9	-179.2	176.7	-176.9	0	111.3	K407 N408 L409 L414 D415	K407-K411 WeakPolarHBondContact O-CB 3.47Å; K407-K411 PolarHBondContact O-N 2.71Å; K407-K411 VanDerWaalsContact O-N 3.09Å; N408-K411 PolarHBondContact O-N 3.4Å; L409-K411 VanDerWaalsContact C-N 3.33Å; L409-K411 PolarHBondContact O-N 3.36Å; K411-L414 PolarHBondContact O-N 2.95Å; K411-D415 PolarHBondContact O-N 2.94Å; K411-D415 VanDerWaalsContact O-OD1 3.06Å
412	K	97.2	Very high	94.8	Very high	60 Å²	60	53.4 Å²	53.4	26%	0.261	25%	0.253	S	S	.	.	H	α-helix	trans	-71.2	-30.9	-178.8	-68.1	-68.5	176.7	-167	0	113.7	F322 L334 N408 L409 V410 D415 L416	F322-K412 HydrophobicContact CB-CD 4.27Å; F322-K412 HydrophobicContact CD1-CB 3.98Å; F322-K412 HydrophobicContact CD1-CD 4.35Å; F322-K412 HydrophobicContact CD1-CG 3.9Å; F322-K412 HydrophobicContact CD2-CD 4.27Å; F322-K412 HydrophobicContact CD2-CG 3.8Å; F322-K412 HydrophobicContact CE1-CB 3.74Å; F322-K412 HydrophobicContact CE1-CG 3.91Å; F322-K412 HydrophobicContact CE2-CB 4.46Å; F322-K412 HydrophobicContact CE2-CG 3.8Å; F322-K412 HydrophobicContact CG-CB 4.42Å; F322-K412 HydrophobicContact CG-CD 4.04Å; F322-K412 HydrophobicContact CG-CG 3.83Å; F322-K412 HydrophobicContact CZ-CB 3.99Å; F322-K412 HydrophobicContact CZ-CG 3.84Å; L334-K412 HydrophobicContact CD1-CB 4.49Å; N408-K412 WeakPolarHBondContact O-CG 3.06Å; N408-K412 PolarHBondContact O-N 3.35Å; L409-K412 PolarHBondContact O-N 3.49Å; L409-K412 VanDerWaalsContact O-N 3.09Å; V410-K412 VanDerWaalsContact C-N 3.31Å; V410-K412 PolarHBondContact O-N 3.45Å; K412-D415 IonicContact NZ-OD2 2.8Å; K412-D415 PolarHBondContact O-N 3.24Å; K412-L416 WeakPolarHBondContact O-CB 3.44Å; K412-L416 PolarHBondContact O-N 3.08Å
413	C	97.3	Very high	95.1	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.007	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-45.3	170.2	-62.3	0	0	0	0	111.3	L334 L375 I378 L409 V410 L416 F417	L334-C413 VanDerWaalsContact CD1-SG 3.58Å; L375-C413 HydrophobicContact CD1-CB 3.89Å; I378-C413 HydrophobicContact CD1-CB 3.71Å; I378-C413 WeakPolarHBondContact CD1-SG 3.22Å; L409-C413 PolarHBondContact O-N 3.1Å; L409-C413 PolarHBondContact O-SG 2.81Å; V410-C413 PolarHBondContact O-N 2.93Å; C413-L416 WeakPolarHBondContact O-CB 3.36Å; C413-L416 PolarHBondContact O-N 2.89Å; C413-F417 HydrophobicContact CB-CE2 4.49Å; C413-F417 HydrophobicContact CB-CZ 4.43Å; C413-F417 WeakPolarHBondContact O-CD1 3.25Å; C413-F417 WeakPolarHBondContact O-CD2 3.4Å; C413-F417 VanDerWaalsContact O-CG 3.25Å; C413-F417 WeakPolarHBondContact O-CG 3.33Å; C413-F417 PolarHBondContact O-N 3.01Å
414	L	97.3	Very high	95.3	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-66.3	-39.6	177.1	-62.4	176.6	0	0	0	111.5	V410 K411 L416 F417 D418 N448 R451 L452	V410-L414 HydrophobicContact CG1-CD1 4.18Å; V410-L414 HydrophobicContact CG1-CG 4.47Å; V410-L414 WeakPolarHBondContact O-CG 3.01Å; V410-L414 PolarHBondContact O-N 2.91Å; K411-L414 PolarHBondContact O-N 2.95Å; L414-L416 VanDerWaalsContact C-N 3.28Å; L414-L416 PolarHBondContact O-N 3.1Å; L414-F417 HydrophobicContact CD2-CD2 3.9Å; L414-F417 HydrophobicContact CD2-CE2 4.19Å; L414-F417 PolarHBondContact O-N 3.26Å; L414-F417 VanDerWaalsContact O-N 3.14Å; L414-D418 VanDerWaalsContact O-CG 3.29Å; L414-D418 PolarHBondContact O-N 3.11Å; L414-N448 HydrophobicContact CD1-CB 3.7Å; L414-N448 WeakPolarHBondContact CD1-OD1 3.13Å; L414-R451 VanDerWaalsContact C-NH2 3.29Å; L414-R451 VanDerWaalsContact CB-CZ 3.42Å; L414-R451 HydrophobicContact CD1-CB 4.46Å; L414-L452 HydrophobicContact CD2-CD2 3.53Å; L414-L452 HydrophobicContact CD2-CG 4.21Å
415	D	97.4	Very high	95.4	Very high	34 Å²	34	57 Å²	57	18%	0.182	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-42.3	173.1	-61.5	-9	0	0	0	110.4	K411 K412 D418 E419 R451	K411-D415 PolarHBondContact O-N 2.94Å; K411-D415 VanDerWaalsContact O-OD1 3.06Å; K412-D415 IonicContact NZ-OD2 2.8Å; K412-D415 PolarHBondContact O-N 3.24Å; D415-D418 PolarHBondContact O-N 2.85Å; D415-E419 WeakPolarHBondContact O-CG 3.49Å; D415-E419 PolarHBondContact O-N 3.24Å; D415-R451 VanDerWaalsContact N-NH2 3.15Å; D415-R451 IonicContact OD1-CZ 3.37Å; D415-R451 IonicContact OD1-NH1 3.36Å; D415-R451 PolarHBondContact OD1-NH1 3.2Å; D415-R451 IonicContact OD1-NH2 3.72Å; D415-R451 PolarHBondContact OD1-NH2 3.5Å
416	L	97.1	Very high	95.5	Very high	8 Å²	8	59 Å²	59	4%	0.042	28%	0.28	C	S	.	.	H	α-helix	trans	-65	-36.1	175.6	179.7	64.3	0	0	0	112.7	A318 K320 I336 K412 C413 L414 L420	A318-L416 HydrophobicContact CB-CD1 4Å; A318-L416 HydrophobicContact CB-CD2 4.4Å; A318-L416 HydrophobicContact CB-CG 4.44Å; K320-L416 HydrophobicContact CB-CB 4.26Å; K320-L416 HydrophobicContact CB-CD1 4.2Å; K320-L416 HydrophobicContact CB-CD2 3.99Å; K320-L416 HydrophobicContact CB-CG 4.37Å; K320-L416 HydrophobicContact CD-CD1 4.46Å; K320-L416 HydrophobicContact CG-CB 4.5Å; I336-L416 HydrophobicContact CD1-CD2 3.43Å; I336-L416 VanDerWaalsContact CD1-CD2 3.43Å; I336-L416 HydrophobicContact CD1-CG 3.88Å; I336-L416 HydrophobicContact CG1-CD2 3.81Å; K412-L416 WeakPolarHBondContact O-CB 3.44Å; K412-L416 PolarHBondContact O-N 3.08Å; C413-L416 WeakPolarHBondContact O-CB 3.36Å; C413-L416 PolarHBondContact O-N 2.89Å; L414-L416 VanDerWaalsContact C-N 3.28Å; L414-L416 PolarHBondContact O-N 3.1Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 PolarHBondContact O-N 3.03Å
417	F	97.7	Very high	95.7	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.009	26%	0.262	C	S	.	.	H	α-helix	trans	-70.3	-37.1	175.7	-58.7	-28.1	0	0	0	112.3	I336 L375 F377 I378 C413 L414 L420 A421 F430 L455	I336-F417 HydrophobicContact CD1-CD1 3.71Å; I336-F417 HydrophobicContact CD1-CE1 3.47Å; I336-F417 VanDerWaalsContact CD1-CE1 3.47Å; I336-F417 HydrophobicContact CG1-CE1 4.25Å; L375-F417 HydrophobicContact CD2-CE2 3.67Å; L375-F417 HydrophobicContact CD2-CZ 3.69Å; F377-F417 HydrophobicContact CE2-CE1 4.41Å; F377-F417 HydrophobicContact CE2-CZ 4.4Å; F377-F417 HydrophobicContact CZ-CE1 4.09Å; F377-F417 AromaticContact CZ-CZ 3.71Å; F377-F417 HydrophobicContact CZ-CZ 3.71Å; I378-F417 HydrophobicContact CD1-CZ 4.07Å; C413-F417 HydrophobicContact CB-CE2 4.49Å; C413-F417 HydrophobicContact CB-CZ 4.43Å; C413-F417 WeakPolarHBondContact O-CD1 3.25Å; C413-F417 WeakPolarHBondContact O-CD2 3.4Å; C413-F417 VanDerWaalsContact O-CG 3.25Å; C413-F417 WeakPolarHBondContact O-CG 3.33Å; C413-F417 PolarHBondContact O-N 3.01Å; L414-F417 HydrophobicContact CD2-CD2 3.9Å; L414-F417 HydrophobicContact CD2-CE2 4.19Å; L414-F417 PolarHBondContact O-N 3.26Å; L414-F417 VanDerWaalsContact O-N 3.14Å; F417-L420 PolarHBondContact O-N 3.26Å; F417-A421 WeakPolarHBondContact O-CB 3.21Å; F417-A421 PolarHBondContact O-N 3Å; F417-F430 AromaticContact CD1-CE1 3.99Å; F417-F430 HydrophobicContact CD1-CE1 3.99Å; F417-F430 HydrophobicContact CD1-CE2 4.09Å; F417-F430 AromaticContact CD1-CZ 3.5Å; F417-F430 HydrophobicContact CD1-CZ 3.5Å; F417-F430 HydrophobicContact CE1-CE1 4.37Å; F417-F430 AromaticContact CE1-CE2 3.78Å; F417-F430 HydrophobicContact CE1-CE2 3.78Å; F417-F430 AromaticContact CE1-CZ 3.45Å; F417-F430 HydrophobicContact CE1-CZ 3.45Å; F417-F430 VanDerWaalsContact CE1-CZ 3.45Å; F417-F430 HydrophobicContact CG-CE1 4.32Å; F417-F430 HydrophobicContact CG-CZ 4.1Å; F417-F430 HydrophobicContact CZ-CZ 4.01Å; F417-L455 HydrophobicContact CB-CD1 3.65Å; F417-L455 HydrophobicContact CB-CD2 3.98Å; F417-L455 HydrophobicContact CB-CG 4.49Å; F417-L455 HydrophobicContact CD2-CD1 3.75Å; F417-L455 HydrophobicContact CG-CD1 4.13Å
418	D	96.2	Very high	95.8	Very high	58 Å²	58	49.2 Å²	49.2	31%	0.31	24%	0.242	S	C	.	.	H	α-helix	trans	-63.9	-44.2	174.4	-66.2	-23.5	0	0	0	110.1	L414 D415 L420 A421 E422 R451	L414-D418 VanDerWaalsContact O-CG 3.29Å; L414-D418 PolarHBondContact O-N 3.11Å; D415-D418 PolarHBondContact O-N 2.85Å; D418-L420 PolarHBondContact O-N 3.32Å; D418-A421 WeakPolarHBondContact O-CB 3.3Å; D418-A421 PolarHBondContact O-N 2.85Å; D418-A421 VanDerWaalsContact O-N 3.11Å; D418-E422 PolarHBondContact O-N 2.82Å; D418-R451 IonicContact OD2-CZ 3.82Å; D418-R451 IonicContact OD2-NE 3.05Å; D418-R451 PolarHBondContact OD2-NE 3.03Å; D418-R451 IonicContact OD2-NH2 2.91Å; D418-R451 PolarHBondContact OD2-NH2 2.92Å
419	E	95.9	Very high	95.9	Very high	90 Å²	90	51 Å²	51	42%	0.421	25%	0.247	S	C	.	.	H	α-helix	trans	-61	-42.6	173.3	-74	164.7	-166.2	0	0	112.1	K320 D415 A421 E422	K320-E419 IonicContact NZ-OE1 2.75Å; K320-E419 PolarHBondContact NZ-OE1 3.43Å; K320-E419 IonicContact NZ-OE2 3.89Å; K320-E419 PolarHBondContact NZ-OE2 3.21Å; D415-E419 WeakPolarHBondContact O-CG 3.49Å; D415-E419 PolarHBondContact O-N 3.24Å; E419-A421 PolarHBondContact O-N 3.34Å; E419-E422 WeakPolarHBondContact O-CB 3.42Å; E419-E422 PolarHBondContact O-N 3.41Å
420	L	95.5	Very high	96	Very high	14 Å²	14	51 Å²	51	7%	0.073	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-33.3	174.2	-89	171.6	0	0	0	112.4	A318 I336 L416 F417 D418 E422 D423 N426 Y427 F430	A318-L420 HydrophobicContact CB-CD1 3.8Å; A318-L420 HydrophobicContact CB-CD2 3.94Å; A318-L420 HydrophobicContact CB-CG 3.99Å; I336-L420 HydrophobicContact CD1-CD1 3.46Å; I336-L420 VanDerWaalsContact CD1-CD1 3.46Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 PolarHBondContact O-N 3.03Å; F417-L420 PolarHBondContact O-N 3.26Å; D418-L420 PolarHBondContact O-N 3.32Å; L420-E422 PolarHBondContact O-N 3.36Å; L420-D423 CarbonylContact O-C 3.54Å; L420-D423 PolarHBondContact O-N 3.5Å; L420-D423 VanDerWaalsContact O-O 3.1Å; L420-N426 HydrophobicContact CD2-CB 4.29Å; L420-Y427 HydrophobicContact CB-CD2 4.22Å; L420-Y427 WeakPolarHBondContact O-CB 3.43Å; L420-F430 HydrophobicContact CD1-CD2 4.5Å; L420-F430 HydrophobicContact CD1-CG 4.34Å
421	A	95.1	Very high	96	Very high	26 Å²	26	51 Å²	51	22%	0.215	25%	0.246	C	C	.	.	H	α-helix	trans	-69.4	-16.4	-180	0	0	0	0	0	113.4	F417 D418 E419 D423 Y427 L455	F417-A421 WeakPolarHBondContact O-CB 3.21Å; F417-A421 PolarHBondContact O-N 3Å; D418-A421 WeakPolarHBondContact O-CB 3.3Å; D418-A421 PolarHBondContact O-N 2.85Å; D418-A421 VanDerWaalsContact O-N 3.11Å; E419-A421 PolarHBondContact O-N 3.34Å; A421-D423 VanDerWaalsContact C-N 3.33Å; A421-Y427 HydrophobicContact CB-CD2 3.75Å; A421-Y427 HydrophobicContact CB-CE2 3.73Å; A421-Y427 HydrophobicContact CB-CG 4.33Å; A421-L455 HydrophobicContact CB-CD2 4.48Å
422	E	94.8	Very high	96	Very high	173 Å²	173	49.1 Å²	49.1	81%	0.808	25%	0.248	S	C	*	.	H	α-helix	trans	-72.3	-27.5	172.1	-58.9	-176.4	170.2	0	0	112.1	D418 E419 L420	D418-E422 PolarHBondContact O-N 2.82Å; E419-E422 WeakPolarHBondContact O-CB 3.42Å; E419-E422 PolarHBondContact O-N 3.41Å; L420-E422 PolarHBondContact O-N 3.36Å
423	D	93.5	Very high	95.9	Very high	71 Å²	71	49.5 Å²	49.5	38%	0.38	25%	0.251	S	S	.	.	S	Bend	trans	-100.9	93.9	173.3	-179.6	-14.2	0	0	0	110.5	L420 A421 E425 N426 Y427	L420-D423 CarbonylContact O-C 3.54Å; L420-D423 PolarHBondContact O-N 3.5Å; L420-D423 VanDerWaalsContact O-O 3.1Å; A421-D423 VanDerWaalsContact C-N 3.33Å; D423-E425 PolarHBondContact O-N 3.32Å; D423-E425 VanDerWaalsContact O-N 3.14Å; D423-E425 PolarHBondContact OD1-N 3.33Å; D423-E425 VanDerWaalsContact OD1-N 3.13Å; D423-N426 HydrophobicContact CB-CB 4.39Å; D423-N426 PolarHBondContact O-N 3.48Å; D423-N426 PolarHBondContact OD1-N 3.05Å; D423-N426 PolarHBondContact OD2-ND2 3.39Å; D423-Y427 WeakPolarHBondContact O-CB 3.39Å; D423-Y427 PolarHBondContact O-N 3.24Å
424	Q	92.2	Very high	95.9	Very high	98 Å²	98	49.4 Å²	49.4	46%	0.458	25%	0.25	S	S	.	.	H	α-helix	trans	-56.2	-34.2	-175.4	-173.3	66.6	5.1	0	0	113.6	M428	Q424-M428 VanDerWaalsContact O-CG 3.27Å; Q424-M428 WeakPolarHBondContact O-CG 3.43Å; Q424-M428 PolarHBondContact O-N 3.28Å
425	E	93.9	Very high	95.9	Very high	129 Å²	129	50.2 Å²	50.2	60%	0.603	26%	0.256	S	S	*	.	H	α-helix	trans	-71.2	-50	-178.2	-169.6	-168.7	146.3	0	0	110.8	D423 Y427 M428 K429	D423-E425 PolarHBondContact O-N 3.32Å; D423-E425 VanDerWaalsContact O-N 3.14Å; D423-E425 PolarHBondContact OD1-N 3.33Å; D423-E425 VanDerWaalsContact OD1-N 3.13Å; E425-Y427 VanDerWaalsContact C-N 3.31Å; E425-M428 PolarHBondContact O-N 3.35Å; E425-K429 WeakPolarHBondContact O-CG 3.27Å; E425-K429 PolarHBondContact O-N 3.34Å; E425-K429 WeakPolarHBondContact OE1-CE 3.35Å; E425-K429 IonicContact OE1-NZ 3.23Å; E425-K429 PolarHBondContact OE1-NZ 3.3Å
426	N	94.6	Very high	95.9	Very high	44 Å²	44	53.7 Å²	53.7	24%	0.235	27%	0.269	C	S	.	.	H	α-helix	trans	-70.1	-31.3	178.3	-76.1	-39.8	0	0	0	111.9	L317 L420 D423 K429 F430	L317-N426 HydrophobicContact CD1-CB 4.45Å; L420-N426 HydrophobicContact CD2-CB 4.29Å; D423-N426 HydrophobicContact CB-CB 4.39Å; D423-N426 PolarHBondContact O-N 3.48Å; D423-N426 PolarHBondContact OD1-N 3.05Å; D423-N426 PolarHBondContact OD2-ND2 3.39Å; N426-K429 PolarHBondContact O-N 3.39Å; N426-F430 WeakPolarHBondContact O-CB 3.14Å; N426-F430 PolarHBondContact O-N 3.18Å
427	Y	97.2	Very high	95.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-45.9	172.8	-167.1	-104.2	0	0	0	112.4	L420 A421 D423 E425 K429 F430 Y431 L455 R457	L420-Y427 HydrophobicContact CB-CD2 4.22Å; L420-Y427 WeakPolarHBondContact O-CB 3.43Å; A421-Y427 HydrophobicContact CB-CD2 3.75Å; A421-Y427 HydrophobicContact CB-CE2 3.73Å; A421-Y427 HydrophobicContact CB-CG 4.33Å; D423-Y427 WeakPolarHBondContact O-CB 3.39Å; D423-Y427 PolarHBondContact O-N 3.24Å; E425-Y427 VanDerWaalsContact C-N 3.31Å; Y427-K429 VanDerWaalsContact C-N 3.3Å; Y427-K429 PolarHBondContact O-N 3.23Å; Y427-F430 HydrophobicContact CD2-CD1 4.15Å; Y427-F430 AromaticContact CE2-CD1 3.91Å; Y427-F430 HydrophobicContact CE2-CD1 3.91Å; Y427-F430 HydrophobicContact CE2-CE1 4.24Å; Y427-F430 WeakPolarHBondContact O-CB 3.3Å; Y427-F430 PolarHBondContact O-N 2.94Å; Y427-Y431 HydrophobicContact CE1-CD2 4.27Å; Y427-Y431 WeakPolarHBondContact O-CB 3.35Å; Y427-Y431 PolarHBondContact O-N 3.06Å; Y427-L455 HydrophobicContact CE2-CD2 4.24Å; Y427-L455 WeakPolarHBondContact OH-CA 3.43Å; Y427-L455 VanDerWaalsContact OH-CB 3.23Å; Y427-L455 WeakPolarHBondContact OH-CB 3.36Å; Y427-L455 PolarHBondContact OH-O 3.37Å; Y427-R457 HydrophobicContact CD1-CG 4.32Å; Y427-R457 HydrophobicContact CE1-CG 3.65Å; Y427-R457 VanDerWaalsContact CE1-CZ 3.44Å
428	M	96.2	Very high	95.9	Very high	57 Å²	57	53.5 Å²	53.5	28%	0.281	27%	0.268	S	S	.	.	H	α-helix	trans	-67.4	-32.9	179	-70.4	-54.8	-62.4	0	0	111.9	Q424 E425 S432 R457 M467	Q424-M428 VanDerWaalsContact O-CG 3.27Å; Q424-M428 WeakPolarHBondContact O-CG 3.43Å; Q424-M428 PolarHBondContact O-N 3.28Å; E425-M428 PolarHBondContact O-N 3.35Å; M428-S432 WeakPolarHBondContact O-CB 2.81Å; M428-S432 PolarHBondContact O-N 3.39Å; M428-R457 HydrophobicContact SD-CG 4.34Å; M428-M467 HydrophobicContact CE-CB 4.01Å; M428-M467 HydrophobicContact CE-CG 4.2Å; M428-M467 HydrophobicContact CE-SD 3.97Å
429	K	95.9	Very high	96	Very high	82 Å²	82	51 Å²	51	36%	0.357	26%	0.255	S	S	.	.	H	α-helix	trans	-61.8	-50	169.3	-68.1	171.8	-169.5	160.9	0	110.9	E425 N426 Y427 Y431 S432 Q433	E425-K429 WeakPolarHBondContact O-CG 3.27Å; E425-K429 PolarHBondContact O-N 3.34Å; E425-K429 WeakPolarHBondContact OE1-CE 3.35Å; E425-K429 IonicContact OE1-NZ 3.23Å; E425-K429 PolarHBondContact OE1-NZ 3.3Å; N426-K429 PolarHBondContact O-N 3.39Å; Y427-K429 VanDerWaalsContact C-N 3.3Å; Y427-K429 PolarHBondContact O-N 3.23Å; K429-Y431 PolarHBondContact O-N 3.3Å; K429-S432 PolarHBondContact O-N 3.18Å; K429-S432 PolarHBondContact O-OG 2.91Å; K429-Q433 PolarHBondContact O-N 3.3Å
430	F	97.5	Very high	96	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-55.2	-52.2	174.9	168	-114.1	0	0	0	112	L317 I336 F377 F417 L420 N426 Y427 S432 Q433 F434 I438	L317-F430 HydrophobicContact CD2-CB 3.59Å; L317-F430 HydrophobicContact CD2-CD2 4.41Å; L317-F430 HydrophobicContact CD2-CG 4.48Å; I336-F430 HydrophobicContact CD1-CE2 4.26Å; I336-F430 HydrophobicContact CG2-CD2 3.79Å; I336-F430 HydrophobicContact CG2-CE2 4.05Å; F377-F430 AromaticContact CE2-CE2 3.97Å; F377-F430 HydrophobicContact CE2-CE2 3.97Å; F377-F430 HydrophobicContact CZ-CE2 4.01Å; F377-F430 HydrophobicContact CZ-CZ 4.36Å; F417-F430 AromaticContact CD1-CE1 3.99Å; F417-F430 HydrophobicContact CD1-CE1 3.99Å; F417-F430 HydrophobicContact CD1-CE2 4.09Å; F417-F430 AromaticContact CD1-CZ 3.5Å; F417-F430 HydrophobicContact CD1-CZ 3.5Å; F417-F430 HydrophobicContact CE1-CE1 4.37Å; F417-F430 AromaticContact CE1-CE2 3.78Å; F417-F430 HydrophobicContact CE1-CE2 3.78Å; F417-F430 AromaticContact CE1-CZ 3.45Å; F417-F430 HydrophobicContact CE1-CZ 3.45Å; F417-F430 VanDerWaalsContact CE1-CZ 3.45Å; F417-F430 HydrophobicContact CG-CE1 4.32Å; F417-F430 HydrophobicContact CG-CZ 4.1Å; F417-F430 HydrophobicContact CZ-CZ 4.01Å; L420-F430 HydrophobicContact CD1-CD2 4.5Å; L420-F430 HydrophobicContact CD1-CG 4.34Å; N426-F430 WeakPolarHBondContact O-CB 3.14Å; N426-F430 PolarHBondContact O-N 3.18Å; Y427-F430 HydrophobicContact CD2-CD1 4.15Å; Y427-F430 AromaticContact CE2-CD1 3.91Å; Y427-F430 HydrophobicContact CE2-CD1 3.91Å; Y427-F430 HydrophobicContact CE2-CE1 4.24Å; Y427-F430 WeakPolarHBondContact O-CB 3.3Å; Y427-F430 PolarHBondContact O-N 2.94Å; F430-S432 VanDerWaalsContact C-N 3.3Å; F430-S432 PolarHBondContact O-N 3.38Å; F430-Q433 PolarHBondContact O-N 2.79Å; F430-Q433 VanDerWaalsContact O-N 3.08Å; F430-F434 HydrophobicContact CD2-CB 4.32Å; F430-F434 AromaticContact CD2-CD2 3.56Å; F430-F434 HydrophobicContact CD2-CD2 3.56Å; F430-F434 HydrophobicContact CD2-CE2 4.37Å; F430-F434 HydrophobicContact CD2-CG 4.36Å; F430-F434 HydrophobicContact CE2-CB 3.87Å; F430-F434 AromaticContact CE2-CD2 3.72Å; F430-F434 HydrophobicContact CE2-CD2 3.72Å; F430-F434 HydrophobicContact CE2-CG 4.12Å; F430-F434 HydrophobicContact CZ-CB 4.35Å; F430-F434 PolarHBondContact O-N 3.41Å; F430-I438 HydrophobicContact CE1-CD1 3.65Å; F430-I438 HydrophobicContact CE1-CG1 4.5Å; F430-I438 HydrophobicContact CZ-CD1 4.07Å; F430-I438 HydrophobicContact CZ-CG1 4.46Å
431	Y	97.3	Very high	96	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.027	24%	0.239	C	C	.	.	H	α-helix	trans	-63.1	-37.1	-176.9	-165.2	-98	0	0	0	111.7	Y427 K429 Q433 S435 I438 L455 R457 M467	Y427-Y431 HydrophobicContact CE1-CD2 4.27Å; Y427-Y431 WeakPolarHBondContact O-CB 3.35Å; Y427-Y431 PolarHBondContact O-N 3.06Å; K429-Y431 PolarHBondContact O-N 3.3Å; Y431-Q433 PolarHBondContact O-N 3.49Å; Y431-S435 WeakPolarHBondContact O-CA 3.4Å; Y431-S435 WeakPolarHBondContact O-CB 3.46Å; Y431-S435 PolarHBondContact O-N 2.75Å; Y431-S435 PolarHBondContact O-OG 2.99Å; Y431-I438 HydrophobicContact CD2-CD1 3.84Å; Y431-I438 HydrophobicContact CE2-CD1 4.07Å; Y431-L455 WeakPolarHBondContact CE2-O 3.35Å; Y431-R457 HydrophobicContact CD1-CB 4Å; Y431-R457 HydrophobicContact CD1-CG 4.49Å; Y431-R457 HydrophobicContact CD2-CB 4.45Å; Y431-R457 HydrophobicContact CD2-CG 4.32Å; Y431-R457 HydrophobicContact CE1-CB 3.68Å; Y431-R457 WeakPolarHBondContact CE1-O 3.13Å; Y431-R457 HydrophobicContact CE2-CB 4.18Å; Y431-R457 HydrophobicContact CE2-CG 4.36Å; Y431-R457 HydrophobicContact CG-CB 4.37Å; Y431-R457 HydrophobicContact CG-CG 4.4Å; Y431-R457 VanDerWaalsContact CZ-N 3.3Å; Y431-R457 VanDerWaalsContact CZ-O 3.3Å; Y431-R457 PolarHBondContact OH-N 3.44Å; Y431-R457 PolarHBondContact OH-O 3.35Å; Y431-M467 HydrophobicContact CD1-SD 4.2Å; Y431-M467 HydrophobicContact CE1-SD 4Å
432	S	95.8	Very high	96.2	Very high	77 Å²	77	46.2 Å²	46.2	54%	0.538	23%	0.228	S	C	.	.	H	α-helix	trans	-60.1	-30.9	175.9	78.2	0	0	0	0	113.4	M428 K429 F430	M428-S432 WeakPolarHBondContact O-CB 2.81Å; M428-S432 PolarHBondContact O-N 3.39Å; K429-S432 PolarHBondContact O-N 3.18Å; K429-S432 PolarHBondContact O-OG 2.91Å; F430-S432 VanDerWaalsContact C-N 3.3Å; F430-S432 PolarHBondContact O-N 3.38Å
433	Q	96.5	Very high	96.3	Very high	67 Å²	67	41.1 Å²	41.1	31%	0.313	20%	0.204	S	C	.	.	H	α-helix	trans	-92.7	-36.3	-177.6	-60.4	-59.5	-61.8	0	0	112.6	R338 K429 F430 Y431	R338-Q433 WeakPolarHBondContact O-CG 3.31Å; K429-Q433 PolarHBondContact O-N 3.3Å; F430-Q433 PolarHBondContact O-N 2.79Å; F430-Q433 VanDerWaalsContact O-N 3.08Å; Y431-Q433 PolarHBondContact O-N 3.49Å
434	F	97.3	Very high	96.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-124.8	13.2	-167.7	-54.7	-70.8	0	0	0	114.4	I336 P337 L344 F377 F430 K436 N437 I438	I336-F434 HydrophobicContact CG2-CD2 4.41Å; I336-F434 HydrophobicContact CG2-CE2 4.03Å; P337-F434 HydrophobicContact CB-CZ 4.4Å; P337-F434 WeakPolarHBondContact O-CE2 3.4Å; L344-F434 HydrophobicContact CD2-CD1 4.23Å; L344-F434 HydrophobicContact CD2-CE1 4.28Å; F377-F434 HydrophobicContact CB-CD1 3.85Å; F377-F434 HydrophobicContact CB-CE1 3.51Å; F377-F434 HydrophobicContact CB-CZ 4.37Å; F377-F434 AromaticContact CD1-CD1 3.89Å; F377-F434 HydrophobicContact CD1-CD1 3.89Å; F377-F434 HydrophobicContact CD1-CE1 4.4Å; F377-F434 HydrophobicContact CD1-CG 4.49Å; F377-F434 AromaticContact CD2-CD1 3.61Å; F377-F434 HydrophobicContact CD2-CD1 3.61Å; F377-F434 HydrophobicContact CD2-CD2 4.28Å; F377-F434 AromaticContact CD2-CE1 3.57Å; F377-F434 HydrophobicContact CD2-CE1 3.57Å; F377-F434 HydrophobicContact CD2-CE2 4.24Å; F377-F434 AromaticContact CD2-CG 3.98Å; F377-F434 HydrophobicContact CD2-CG 3.98Å; F377-F434 AromaticContact CD2-CZ 3.89Å; F377-F434 HydrophobicContact CD2-CZ 3.89Å; F377-F434 HydrophobicContact CE1-CB 4.37Å; F377-F434 HydrophobicContact CE1-CD1 4.31Å; F377-F434 HydrophobicContact CE1-CG 4.46Å; F377-F434 HydrophobicContact CE2-CB 4.44Å; F377-F434 HydrophobicContact CE2-CD1 4.06Å; F377-F434 HydrophobicContact CE2-CD2 4.19Å; F377-F434 HydrophobicContact CE2-CE1 4.37Å; F377-F434 HydrophobicContact CE2-CE2 4.47Å; F377-F434 AromaticContact CE2-CG 3.96Å; F377-F434 HydrophobicContact CE2-CG 3.96Å; F377-F434 AromaticContact CG-CD1 3.51Å; F377-F434 HydrophobicContact CG-CD1 3.51Å; F377-F434 AromaticContact CG-CE1 3.58Å; F377-F434 HydrophobicContact CG-CE1 3.58Å; F377-F434 HydrophobicContact CG-CG 4.24Å; F377-F434 HydrophobicContact CG-CZ 4.35Å; F377-F434 HydrophobicContact CZ-CB 4.2Å; F377-F434 HydrophobicContact CZ-CD1 4.37Å; F377-F434 HydrophobicContact CZ-CG 4.19Å; F430-F434 HydrophobicContact CD2-CB 4.32Å; F430-F434 AromaticContact CD2-CD2 3.56Å; F430-F434 HydrophobicContact CD2-CD2 3.56Å; F430-F434 HydrophobicContact CD2-CE2 4.37Å; F430-F434 HydrophobicContact CD2-CG 4.36Å; F430-F434 HydrophobicContact CE2-CB 3.87Å; F430-F434 AromaticContact CE2-CD2 3.72Å; F430-F434 HydrophobicContact CE2-CD2 3.72Å; F430-F434 HydrophobicContact CE2-CG 4.12Å; F430-F434 HydrophobicContact CZ-CB 4.35Å; F430-F434 PolarHBondContact O-N 3.41Å; F434-K436 VanDerWaalsContact C-N 3.25Å; F434-K436 PolarHBondContact O-N 3.48Å; F434-N437 HydrophobicContact CB-CB 4.39Å; F434-N437 WeakPolarHBondContact O-CB 3.28Å; F434-N437 PolarHBondContact O-N 2.97Å; F434-I438 PolarHBondContact O-N 2.97Å; F434-I438 VanDerWaalsContact O-N 3.1Å
435	S	97.1	Very high	96.5	Very high	16 Å²	16	38.6 Å²	38.6	11%	0.112	19%	0.191	C	C	.	.	H	α-helix	trans	-55.2	-39.6	175.1	54.1	0	0	0	0	112.8	Y431 N437 I438 K439	Y431-S435 WeakPolarHBondContact O-CA 3.4Å; Y431-S435 WeakPolarHBondContact O-CB 3.46Å; Y431-S435 PolarHBondContact O-N 2.75Å; Y431-S435 PolarHBondContact O-OG 2.99Å; S435-N437 VanDerWaalsContact C-N 3.29Å; S435-N437 PolarHBondContact O-N 2.93Å; S435-I438 PolarHBondContact O-N 3.38Å; S435-K439 WeakPolarHBondContact O-CB 3.39Å; S435-K439 VanDerWaalsContact O-CG 3.24Å; S435-K439 WeakPolarHBondContact O-CG 3.42Å; S435-K439 PolarHBondContact O-N 2.85Å
436	K	96.5	Very high	96.6	Very high	107 Å²	107	36.5 Å²	36.5	47%	0.465	19%	0.188	S	C	.	.	H	α-helix	trans	-59.2	-39.7	175.3	-67.4	-179.7	-178.3	175.8	0	111.9	F345 F434 K439 L440 I518	F345-K436 HydrophobicContact CE2-CB 4.23Å; F345-K436 HydrophobicContact CE2-CD 4.12Å; F345-K436 HydrophobicContact CZ-CB 3.75Å; F345-K436 HydrophobicContact CZ-CD 4.44Å; F434-K436 VanDerWaalsContact C-N 3.25Å; F434-K436 PolarHBondContact O-N 3.48Å; K436-K439 PolarHBondContact O-N 2.88Å; K436-L440 WeakPolarHBondContact O-CB 3.4Å; K436-L440 PolarHBondContact O-N 3.3Å; K436-I518 WeakPolarHBondContact O-CD1 3.13Å
437	N	96.7	Very high	96.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-66.6	-44.1	176.1	-72	86.5	0	0	0	111.7	L344 F345 Y374 F377 F434 S435 K439 L440 G441	L344-N437 WeakPolarHBondContact CD2-OD1 3.29Å; F345-N437 WeakPolarHBondContact CZ-OD1 3.44Å; Y374-N437 WeakPolarHBondContact CB-O 3.48Å; Y374-N437 VanDerWaalsContact O-CB 3.3Å; Y374-N437 WeakPolarHBondContact O-CB 3.2Å; Y374-N437 PolarHBondContact O-ND2 3.09Å; F377-N437 HydrophobicContact CD1-CB 3.96Å; F377-N437 HydrophobicContact CE1-CB 3.7Å; F434-N437 HydrophobicContact CB-CB 4.39Å; F434-N437 WeakPolarHBondContact O-CB 3.28Å; F434-N437 PolarHBondContact O-N 2.97Å; S435-N437 VanDerWaalsContact C-N 3.29Å; S435-N437 PolarHBondContact O-N 2.93Å; N437-K439 VanDerWaalsContact C-N 3.32Å; N437-K439 PolarHBondContact O-N 2.95Å; N437-L440 WeakPolarHBondContact O-CB 3.42Å; N437-L440 PolarHBondContact O-N 3.31Å; N437-G441 PolarHBondContact O-N 3.17Å
438	I	97.8	Very high	96.6	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	23%	0.228	C	C	.	.	H	α-helix	trans	-60	-45.4	175.9	-60.4	170.4	0	0	0	110.6	F430 Y431 F434 S435 L440 G441 I442 L452 L455 L456	F430-I438 HydrophobicContact CE1-CD1 3.65Å; F430-I438 HydrophobicContact CE1-CG1 4.5Å; F430-I438 HydrophobicContact CZ-CD1 4.07Å; F430-I438 HydrophobicContact CZ-CG1 4.46Å; Y431-I438 HydrophobicContact CD2-CD1 3.84Å; Y431-I438 HydrophobicContact CE2-CD1 4.07Å; F434-I438 PolarHBondContact O-N 2.97Å; F434-I438 VanDerWaalsContact O-N 3.1Å; S435-I438 PolarHBondContact O-N 3.38Å; I438-L440 PolarHBondContact O-N 2.96Å; I438-G441 PolarHBondContact O-N 2.99Å; I438-G441 VanDerWaalsContact O-N 3.14Å; I438-I442 PolarHBondContact O-N 3.34Å; I438-L452 HydrophobicContact CG2-CD2 4.47Å; I438-L455 HydrophobicContact CD1-CB 4.39Å; I438-L455 HydrophobicContact CG2-CB 4.09Å; I438-L456 HydrophobicContact CG2-CD2 4.27Å
439	K	98	Very high	96.7	Very high	5 Å²	5	44.1 Å²	44.1	2%	0.022	22%	0.223	C	C	.	.	H	α-helix	trans	-64.5	-37.8	178.1	-66.7	170.7	-174.4	-166.5	0	112.2	S435 K436 N437 G441 I442 H443 L456 D516 I518 D519 A522	S435-K439 WeakPolarHBondContact O-CB 3.39Å; S435-K439 VanDerWaalsContact O-CG 3.24Å; S435-K439 WeakPolarHBondContact O-CG 3.42Å; S435-K439 PolarHBondContact O-N 2.85Å; K436-K439 PolarHBondContact O-N 2.88Å; N437-K439 VanDerWaalsContact C-N 3.32Å; N437-K439 PolarHBondContact O-N 2.95Å; K439-G441 VanDerWaalsContact C-N 3.35Å; K439-I442 PolarHBondContact O-N 2.66Å; K439-H443 PolarHBondContact O-N 3Å; K439-L456 HydrophobicContact CG-CD2 4.03Å; K439-D516 IonicContact NZ-OD2 2.98Å; K439-D516 PolarHBondContact NZ-OD2 3.07Å; K439-I518 HydrophobicContact CB-CD1 4.19Å; K439-I518 HydrophobicContact CB-CG1 4.14Å; K439-I518 HydrophobicContact CB-CG2 3.84Å; K439-I518 HydrophobicContact CD-CG2 3.54Å; K439-I518 HydrophobicContact CG-CG2 4.33Å; K439-D519 WeakPolarHBondContact CD-OD1 3.47Å; K439-D519 WeakPolarHBondContact CE-OD1 3.35Å; K439-D519 IonicContact NZ-OD1 2.77Å; K439-D519 PolarHBondContact NZ-OD1 2.91Å; K439-D519 IonicContact NZ-OD2 3.85Å; K439-D519 PolarHBondContact NZ-OD2 3.38Å; K439-A522 HydrophobicContact CB-CB 4.36Å
440	L	96.2	Very high	96.6	Very high	30 Å²	30	44 Å²	44	16%	0.157	24%	0.238	C	C	.	.	H	α-helix	trans	-62.8	-42.2	171.4	-175.9	62.7	0	0	0	111.3	E373 K436 N437 I438 I442 H443 E444 I518	E373-L440 HydrophobicContact CG-CD2 4.39Å; K436-L440 WeakPolarHBondContact O-CB 3.4Å; K436-L440 PolarHBondContact O-N 3.3Å; N437-L440 WeakPolarHBondContact O-CB 3.42Å; N437-L440 PolarHBondContact O-N 3.31Å; I438-L440 PolarHBondContact O-N 2.96Å; L440-I442 VanDerWaalsContact C-N 3.3Å; L440-I442 PolarHBondContact O-N 3.45Å; L440-H443 WeakPolarHBondContact O-CA 3.4Å; L440-H443 WeakPolarHBondContact O-CB 3.4Å; L440-H443 PolarHBondContact O-N 2.71Å; L440-E444 HydrophobicContact CD1-CG 4.01Å; L440-E444 HydrophobicContact CG-CG 4.3Å; L440-E444 PolarHBondContact O-N 3.19Å; L440-I518 HydrophobicContact CB-CD1 3.96Å
441	G	97.2	Very high	96.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.6	-38.3	175.5	0	0	0	0	0	112.8	N437 I438 K439 H443 E444 D445	N437-G441 PolarHBondContact O-N 3.17Å; I438-G441 PolarHBondContact O-N 2.99Å; I438-G441 VanDerWaalsContact O-N 3.14Å; K439-G441 VanDerWaalsContact C-N 3.35Å; G441-H443 VanDerWaalsContact C-N 3.28Å; G441-H443 PolarHBondContact O-N 3.3Å; G441-E444 PolarHBondContact O-N 3.14Å; G441-D445 WeakPolarHBondContact O-CA 3.2Å; G441-D445 VanDerWaalsContact O-CB 3.31Å; G441-D445 WeakPolarHBondContact O-CB 3.44Å; G441-D445 PolarHBondContact O-N 3Å
442	I	97.8	Very high	96.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.8	-38.2	174.2	-70.4	166.2	0	0	0	111.3	I438 K439 L440 R449 L452 L456 A522 L526	I438-I442 PolarHBondContact O-N 3.34Å; K439-I442 PolarHBondContact O-N 2.66Å; L440-I442 VanDerWaalsContact C-N 3.3Å; L440-I442 PolarHBondContact O-N 3.45Å; I442-R449 HydrophobicContact CG2-CG 4.06Å; I442-R449 PolarHBondContact O-NE 2.91Å; I442-R449 PolarHBondContact O-NH2 2.7Å; I442-L452 HydrophobicContact CD1-CB 4.44Å; I442-L452 HydrophobicContact CG1-CB 3.69Å; I442-L456 HydrophobicContact CD1-CD1 3.53Å; I442-L456 HydrophobicContact CD1-CD2 3.53Å; I442-L456 HydrophobicContact CD1-CG 3.66Å; I442-A522 HydrophobicContact CB-CB 4.47Å; I442-A522 HydrophobicContact CG2-CB 4.11Å; I442-L526 HydrophobicContact CG2-CB 4.23Å
443	H	96.4	Very high	96.7	Very high	65 Å²	65	43.2 Å²	43.2	30%	0.301	22%	0.223	S	C	.	.	H	α-helix	trans	-67.6	-48	177.9	-172.6	72.7	0	0	0	111.5	K439 L440 G441 Y521	K439-H443 PolarHBondContact O-N 3Å; L440-H443 WeakPolarHBondContact O-CA 3.4Å; L440-H443 WeakPolarHBondContact O-CB 3.4Å; L440-H443 PolarHBondContact O-N 2.71Å; G441-H443 VanDerWaalsContact C-N 3.28Å; G441-H443 PolarHBondContact O-N 3.3Å; H443-Y521 PolarHBondContact ND1-O 3.4Å; H443-Y521 VanDerWaalsContact ND1-O 3.11Å
444	E	94.9	Very high	96.7	Very high	95 Å²	95	43.5 Å²	43.5	44%	0.444	22%	0.224	S	C	.	.	H	α-helix	trans	-92.1	-29.4	-169.2	-64.8	-175.4	162.6	0	0	115.5	L440 G441 P446	L440-E444 HydrophobicContact CD1-CG 4.01Å; L440-E444 HydrophobicContact CG-CG 4.3Å; L440-E444 PolarHBondContact O-N 3.19Å; G441-E444 PolarHBondContact O-N 3.14Å; E444-P446 WeakPolarHBondContact O-CD 3.42Å
445	D	96	Very high	96.7	Very high	22 Å²	22	43.6 Å²	43.6	12%	0.118	23%	0.225	C	C	.	.			trans	-111	87.2	-169.9	-169.4	-18.8	0	0	0	112	Y374 G441 M447 N448 R449 L452	Y374-D445 HydrophobicContact CD1-CB 4.49Å; Y374-D445 HydrophobicContact CE1-CB 3.73Å; Y374-D445 WeakPolarHBondContact CE1-OD2 3.44Å; Y374-D445 PolarHBondContact OH-OD2 3.36Å; G441-D445 WeakPolarHBondContact O-CA 3.2Å; G441-D445 VanDerWaalsContact O-CB 3.31Å; G441-D445 WeakPolarHBondContact O-CB 3.44Å; G441-D445 PolarHBondContact O-N 3Å; D445-M447 PolarHBondContact O-N 3.02Å; D445-M447 PolarHBondContact OD1-N 3Å; D445-M447 VanDerWaalsContact OD1-N 3.16Å; D445-N448 PolarHBondContact O-N 2.93Å; D445-N448 PolarHBondContact OD1-N 3.43Å; D445-N448 PolarHBondContact OD1-ND2 2.83Å; D445-N448 PolarHBondContact OD2-ND2 2.97Å; D445-R449 WeakPolarHBondContact O-CB 3.29Å; D445-R449 PolarHBondContact O-N 2.69Å; D445-L452 HydrophobicContact CB-CD1 4.47Å
446	P	96	Very high	96.7	Very high	84 Å²	84	42.9 Å²	42.9	55%	0.545	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.5	179.7	25.8	-34.7	0	0	0	113.4	E444	E444-P446 WeakPolarHBondContact O-CD 3.42Å
447	M	95.7	Very high	96.7	Very high	176 Å²	176	38.7 Å²	38.7	87%	0.867	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-39.8	-177.6	-71.9	-173.2	159.1	0	0	111.6	D445	D445-M447 PolarHBondContact O-N 3.02Å; D445-M447 PolarHBondContact OD1-N 3Å; D445-M447 VanDerWaalsContact OD1-N 3.16Å
448	N	96.7	Very high	96.8	Very high	39 Å²	39	38.9 Å²	38.9	21%	0.209	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	0.1	-178.5	-63.4	-62	0	0	0	113.9	V410 L414 D445 A450 R451 L452	V410-N448 WeakPolarHBondContact CG1-ND2 3.2Å; L414-N448 HydrophobicContact CD1-CB 3.7Å; L414-N448 WeakPolarHBondContact CD1-OD1 3.13Å; D445-N448 PolarHBondContact O-N 2.93Å; D445-N448 PolarHBondContact OD1-N 3.43Å; D445-N448 PolarHBondContact OD1-ND2 2.83Å; D445-N448 PolarHBondContact OD2-ND2 2.97Å; N448-A450 PolarHBondContact O-N 2.92Å; N448-A450 VanDerWaalsContact O-N 3.11Å; N448-R451 PolarHBondContact O-N 3.42Å; N448-L452 HydrophobicContact CB-CD1 4.34Å; N448-L452 HydrophobicContact CB-CG 4.47Å; N448-L452 PolarHBondContact O-N 2.91Å
449	R	96.7	Very high	96.7	Very high	47 Å²	47	40.4 Å²	40.4	18%	0.177	21%	0.208	C	C	.	.	H	α-helix	trans	-49.3	-41.7	-177	-170.6	175.6	-64.4	133.3	-1.8	113.9	I442 D445 L452 A453	I442-R449 HydrophobicContact CG2-CG 4.06Å; I442-R449 PolarHBondContact O-NE 2.91Å; I442-R449 PolarHBondContact O-NH2 2.7Å; D445-R449 WeakPolarHBondContact O-CB 3.29Å; D445-R449 PolarHBondContact O-N 2.69Å; R449-L452 PolarHBondContact O-N 3.45Å; R449-A453 WeakPolarHBondContact O-CB 3.07Å; R449-A453 PolarHBondContact O-N 3.35Å
450	A	95.6	Very high	96.7	Very high	79 Å²	79	40.4 Å²	40.4	65%	0.653	21%	0.209	S	C	*	.	H	α-helix	trans	-63.5	-44.8	179.4	0	0	0	0	0	112.3	N448 A453	N448-A450 PolarHBondContact O-N 2.92Å; N448-A450 VanDerWaalsContact O-N 3.11Å; A450-A453 PolarHBondContact O-N 3.18Å
451	R	95.9	Very high	96.6	Very high	69 Å²	69	40.8 Å²	40.8	26%	0.26	21%	0.214	S	C	.	.	H	α-helix	trans	-65.3	-44.7	174	-84.8	-179.2	84.4	177	11.3	111.4	L414 D415 D418 N448 A453 E454	L414-R451 VanDerWaalsContact C-NH2 3.29Å; L414-R451 VanDerWaalsContact CB-CZ 3.42Å; L414-R451 HydrophobicContact CD1-CB 4.46Å; D415-R451 VanDerWaalsContact N-NH2 3.15Å; D415-R451 IonicContact OD1-CZ 3.37Å; D415-R451 IonicContact OD1-NH1 3.36Å; D415-R451 PolarHBondContact OD1-NH1 3.2Å; D415-R451 IonicContact OD1-NH2 3.72Å; D415-R451 PolarHBondContact OD1-NH2 3.5Å; D418-R451 IonicContact OD2-CZ 3.82Å; D418-R451 IonicContact OD2-NE 3.05Å; D418-R451 PolarHBondContact OD2-NE 3.03Å; D418-R451 IonicContact OD2-NH2 2.91Å; D418-R451 PolarHBondContact OD2-NH2 2.92Å; N448-R451 PolarHBondContact O-N 3.42Å; R451-A453 PolarHBondContact O-N 2.86Å; R451-E454 WeakPolarHBondContact O-CB 3.42Å; R451-E454 PolarHBondContact O-N 2.66Å; R451-E454 VanDerWaalsContact O-N 3.12Å
452	L	97.5	Very high	96.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-61.7	-31.4	178.8	-68.8	171.1	0	0	0	112.5	Y374 L414 I438 I442 D445 N448 R449 E454 L455	Y374-L452 HydrophobicContact CE2-CD1 4.19Å; Y374-L452 HydrophobicContact CE2-CD2 4.15Å; L414-L452 HydrophobicContact CD2-CD2 3.53Å; L414-L452 HydrophobicContact CD2-CG 4.21Å; I438-L452 HydrophobicContact CG2-CD2 4.47Å; I442-L452 HydrophobicContact CD1-CB 4.44Å; I442-L452 HydrophobicContact CG1-CB 3.69Å; D445-L452 HydrophobicContact CB-CD1 4.47Å; N448-L452 HydrophobicContact CB-CD1 4.34Å; N448-L452 HydrophobicContact CB-CG 4.47Å; N448-L452 PolarHBondContact O-N 2.91Å; R449-L452 PolarHBondContact O-N 3.45Å; L452-E454 VanDerWaalsContact C-N 3.33Å; L452-E454 PolarHBondContact O-N 3.05Å; L452-L455 HydrophobicContact CD2-CD1 4.26Å; L452-L455 WeakPolarHBondContact O-CB 3.38Å; L452-L455 PolarHBondContact O-N 2.98Å
453	A	97.5	Very high	96	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-66.5	-31.5	176.3	0	0	0	0	0	113.2	R449 A450 R451 L455 L456 L526 Y529	R449-A453 WeakPolarHBondContact O-CB 3.07Å; R449-A453 PolarHBondContact O-N 3.35Å; A450-A453 PolarHBondContact O-N 3.18Å; R451-A453 PolarHBondContact O-N 2.86Å; A453-L455 PolarHBondContact O-N 3.34Å; A453-L456 WeakPolarHBondContact O-CB 3.47Å; A453-L456 PolarHBondContact O-N 2.65Å; A453-L526 HydrophobicContact CB-CD1 3.78Å; A453-L526 HydrophobicContact CB-CD2 4.24Å; A453-Y529 HydrophobicContact CB-CD2 3.84Å; A453-Y529 HydrophobicContact CB-CE2 4.07Å
454	E	96.6	Very high	95.4	Very high	73 Å²	73	44.9 Å²	44.9	34%	0.341	26%	0.263	S	S	.	.	H	α-helix	trans	-66	-25.7	174.7	-62.2	-65.5	162.3	0	0	112.2	R451 L452 L456 R457 Y529 Q530	R451-E454 WeakPolarHBondContact O-CB 3.42Å; R451-E454 PolarHBondContact O-N 2.66Å; R451-E454 VanDerWaalsContact O-N 3.12Å; L452-E454 VanDerWaalsContact C-N 3.33Å; L452-E454 PolarHBondContact O-N 3.05Å; E454-L456 VanDerWaalsContact C-N 3.33Å; E454-R457 PolarHBondContact O-NH1 2.84Å; E454-Y529 HydrophobicContact CG-CE2 4.46Å; E454-Y529 WeakPolarHBondContact OE1-CE2 3.32Å; E454-Y529 PolarHBondContact OE1-OH 3.43Å; E454-Y529 VanDerWaalsContact OE1-OH 3.13Å; E454-Y529 PolarHBondContact OE2-OH 2.96Å; E454-Q530 PolarHBondContact OE1-NE2 3.25Å; E454-Q530 VanDerWaalsContact OE1-NE2 3.17Å
455	L	97.2	Very high	95	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-11.1	178.6	-59.5	178	0	0	0	112.9	F417 A421 Y427 Y431 I438 L452 A453	F417-L455 HydrophobicContact CB-CD1 3.65Å; F417-L455 HydrophobicContact CB-CD2 3.98Å; F417-L455 HydrophobicContact CB-CG 4.49Å; F417-L455 HydrophobicContact CD2-CD1 3.75Å; F417-L455 HydrophobicContact CG-CD1 4.13Å; A421-L455 HydrophobicContact CB-CD2 4.48Å; Y427-L455 HydrophobicContact CE2-CD2 4.24Å; Y427-L455 WeakPolarHBondContact OH-CA 3.43Å; Y427-L455 VanDerWaalsContact OH-CB 3.23Å; Y427-L455 WeakPolarHBondContact OH-CB 3.36Å; Y427-L455 PolarHBondContact OH-O 3.37Å; Y431-L455 WeakPolarHBondContact CE2-O 3.35Å; I438-L455 HydrophobicContact CD1-CB 4.39Å; I438-L455 HydrophobicContact CG2-CB 4.09Å; L452-L455 HydrophobicContact CD2-CD1 4.26Å; L452-L455 WeakPolarHBondContact O-CB 3.38Å; L452-L455 PolarHBondContact O-N 2.98Å; A453-L455 PolarHBondContact O-N 3.34Å
456	L	97.7	Very high	94.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.305	C	S	.	.			trans	-67.1	142.5	-179.9	-67.3	174.1	0	0	0	112.1	I438 K439 I442 A453 E454 Y458 S469 L470 L526	I438-L456 HydrophobicContact CG2-CD2 4.27Å; K439-L456 HydrophobicContact CG-CD2 4.03Å; I442-L456 HydrophobicContact CD1-CD1 3.53Å; I442-L456 HydrophobicContact CD1-CD2 3.53Å; I442-L456 HydrophobicContact CD1-CG 3.66Å; A453-L456 WeakPolarHBondContact O-CB 3.47Å; A453-L456 PolarHBondContact O-N 2.65Å; E454-L456 VanDerWaalsContact C-N 3.33Å; L456-Y458 HydrophobicContact CB-CD2 4.21Å; L456-Y458 HydrophobicContact CB-CE2 3.6Å; L456-Y458 HydrophobicContact CD1-CE2 3.75Å; L456-Y458 HydrophobicContact CD2-CE2 4.25Å; L456-Y458 HydrophobicContact CG-CE2 4.09Å; L456-S469 WeakPolarHBondContact O-CA 3.47Å; L456-L470 HydrophobicContact CD1-CD1 3.99Å; L456-L526 HydrophobicContact CD1-CD2 3.84Å
457	R	97.3	Very high	94.8	Very high	19 Å²	19	50.3 Å²	50.3	7%	0.072	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.6	171.4	-59.1	-68.3	-179.5	-85.5	-0	109.5	Y427 M428 Y431 E454 M467 C468	Y427-R457 HydrophobicContact CD1-CG 4.32Å; Y427-R457 HydrophobicContact CE1-CG 3.65Å; Y427-R457 VanDerWaalsContact CE1-CZ 3.44Å; M428-R457 HydrophobicContact SD-CG 4.34Å; Y431-R457 HydrophobicContact CD1-CB 4Å; Y431-R457 HydrophobicContact CD1-CG 4.49Å; Y431-R457 HydrophobicContact CD2-CB 4.45Å; Y431-R457 HydrophobicContact CD2-CG 4.32Å; Y431-R457 HydrophobicContact CE1-CB 3.68Å; Y431-R457 WeakPolarHBondContact CE1-O 3.13Å; Y431-R457 HydrophobicContact CE2-CB 4.18Å; Y431-R457 HydrophobicContact CE2-CG 4.36Å; Y431-R457 HydrophobicContact CG-CB 4.37Å; Y431-R457 HydrophobicContact CG-CG 4.4Å; Y431-R457 VanDerWaalsContact CZ-N 3.3Å; Y431-R457 VanDerWaalsContact CZ-O 3.3Å; Y431-R457 PolarHBondContact OH-N 3.44Å; Y431-R457 PolarHBondContact OH-O 3.35Å; E454-R457 PolarHBondContact O-NH1 2.84Å; R457-M467 HydrophobicContact CB-CB 3.92Å; R457-M467 HydrophobicContact CB-SD 4.23Å; R457-C468 WeakPolarHBondContact CA-O 3.28Å
458	Y	97.4	Very high	94.7	Very high	8 Å²	8	42.6 Å²	42.6	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	152.5	-178.6	-66.5	-73.9	0	0	0	110.8	L456 M467 C468 L470 V512 M514 D519	L456-Y458 HydrophobicContact CB-CD2 4.21Å; L456-Y458 HydrophobicContact CB-CE2 3.6Å; L456-Y458 HydrophobicContact CD1-CE2 3.75Å; L456-Y458 HydrophobicContact CD2-CE2 4.25Å; L456-Y458 HydrophobicContact CG-CE2 4.09Å; Y458-M467 CarbonylContact O-C 3.26Å; Y458-M467 VanDerWaalsContact O-CA 3.26Å; Y458-M467 WeakPolarHBondContact O-CA 3.22Å; Y458-C468 PolarHBondContact N-O 2.87Å; Y458-C468 PolarHBondContact O-N 3.12Å; Y458-L470 HydrophobicContact CD2-CD2 4.23Å; Y458-V512 VanDerWaalsContact CB-CG1 3.47Å; Y458-V512 HydrophobicContact CD1-CG1 4.29Å; Y458-V512 HydrophobicContact CD2-CG1 3.87Å; Y458-V512 HydrophobicContact CG-CG1 3.63Å; Y458-M514 HydrophobicContact CD1-CG 4Å; Y458-M514 HydrophobicContact CE1-CE 4.31Å; Y458-M514 HydrophobicContact CE1-CG 3.81Å; Y458-M514 HydrophobicContact CE2-CE 4.21Å; Y458-D519 WeakPolarHBondContact CE1-OD1 3.26Å; Y458-D519 PolarHBondContact OH-OD1 3.12Å
459	H	96.9	Very high	94.7	Very high	35 Å²	35	41.2 Å²	41.2	16%	0.162	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	151.2	162.5	-66.1	-71.3	0	0	0	109.7	S465 E466 M467 L492 Y513	H459-S465 PolarHBondContact CE1-O 3.14Å; H459-E466 PolarHBondContact ND1-O 2.77Å; H459-M467 VanDerWaalsContact NE2-CE 3.26Å; H459-M467 WeakPolarHBondContact NE2-CE 3.47Å; H459-L492 HydrophobicContact CB-CD1 3.72Å; H459-Y513 HydrophobicContact CB-CD2 4.23Å; H459-Y513 WeakPolarHBondContact O-CB 3.34Å; H459-Y513 PolarHBondContact O-N 2.91Å
460	T	97	Very high	94.7	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	165.7	177.2	66.7	0	0	0	0	110.4	A462 S463 C468 Y473 E510 V511 V512 Y513	T460-A462 PolarHBondContact O-N 3.15Å; T460-A462 VanDerWaalsContact O-N 3.11Å; T460-A462 PolarHBondContact OG1-N 2.95Å; T460-S463 PolarHBondContact N-OG 2.75Å; T460-S463 PolarHBondContact O-N 2.85Å; T460-S463 PolarHBondContact O-OG 2.97Å; T460-S463 WeakPolarHBondContact OG1-CB 3.31Å; T460-S463 PolarHBondContact OG1-N 3.13Å; T460-S463 PolarHBondContact OG1-OG 3.25Å; T460-C468 WeakPolarHBondContact CG2-SG 3.43Å; T460-Y473 HydrophobicContact CG2-CD2 4.46Å; T460-E510 VanDerWaalsContact CB-OE1 3.26Å; T460-E510 WeakPolarHBondContact CB-OE1 3.22Å; T460-E510 HydrophobicContact CG2-CG 4.44Å; T460-E510 WeakPolarHBondContact CG2-OE1 3.11Å; T460-E510 PolarHBondContact OG1-OE1 3.31Å; T460-V511 CarbonylContact C-O 3.49Å; T460-V511 WeakPolarHBondContact CA-O 3.46Å; T460-V511 WeakPolarHBondContact CB-O 3.44Å; T460-V512 HydrophobicContact CG2-CG2 4.33Å; T460-Y513 VanDerWaalsContact C-CE2 3.42Å
461	S	95.5	Very high	94.7	Very high	39 Å²	39	36.2 Å²	36.2	27%	0.273	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-15.7	174	62.4	0	0	0	0	114.2	E510 V511 Y513	S461-E510 WeakPolarHBondContact OG-CA 3.22Å; S461-V511 PolarHBondContact N-O 2.9Å; S461-V511 PolarHBondContact OG-N 3.33Å; S461-Y513 WeakPolarHBondContact CB-OH 3.49Å
462	A	92.8	Very high	94.7	Very high	65 Å²	65	35.3 Å²	35.3	54%	0.537	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-18.5	-178.5	0	0	0	0	0	113.9	T460 E510	T460-A462 PolarHBondContact O-N 3.15Å; T460-A462 VanDerWaalsContact O-N 3.11Å; T460-A462 PolarHBondContact OG1-N 2.95Å; A462-E510 HydrophobicContact CB-CG 3.82Å
463	S	88.3	Confident	94.6	Very high	28 Å²	28	35.4 Å²	35.4	20%	0.196	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-4.2	-173.6	66	0	0	0	0	114.9	T460 S465 E466	T460-S463 PolarHBondContact N-OG 2.75Å; T460-S463 PolarHBondContact O-N 2.85Å; T460-S463 PolarHBondContact O-OG 2.97Å; T460-S463 WeakPolarHBondContact OG1-CB 3.31Å; T460-S463 PolarHBondContact OG1-N 3.13Å; T460-S463 PolarHBondContact OG1-OG 3.25Å; S463-S465 PolarHBondContact O-N 3.14Å; S463-E466 VanDerWaalsContact CB-O 3.25Å; S463-E466 WeakPolarHBondContact CB-O 3.21Å; S463-E466 PolarHBondContact O-N 2.67Å; S463-E466 PolarHBondContact OG-O 2.71Å
464	G	84.1	Confident	94.6	Very high	57 Å²	57	36.9 Å²	36.9	59%	0.588	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.7	-124.8	-176.9	0	0	0	0	0	111.6
465	S	87.1	Confident	94.5	Very high	110 Å²	110	41 Å²	41	77%	0.769	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-8	179	55.1	0	0	0	0	114.2	H459 S463	H459-S465 PolarHBondContact CE1-O 3.14Å; S463-S465 PolarHBondContact O-N 3.14Å
466	E	92.1	Very high	94.4	Very high	145 Å²	145	46.3 Å²	46.3	68%	0.678	26%	0.264	S	S	*	.	S	Bend	trans	-91.2	148.1	-177.7	-65.4	-176.8	178.1	0	0	111.1	H459 S463	H459-E466 PolarHBondContact ND1-O 2.77Å; S463-E466 VanDerWaalsContact CB-O 3.25Å; S463-E466 WeakPolarHBondContact CB-O 3.21Å; S463-E466 PolarHBondContact O-N 2.67Å; S463-E466 PolarHBondContact OG-O 2.71Å
467	M	94.6	Very high	94.2	Very high	61 Å²	61	47.6 Å²	47.6	30%	0.3	27%	0.271	S	S	.	.			trans	-89.8	139.2	168.7	-63	-173.5	177.6	0	0	109.6	M428 Y431 R457 Y458 H459	M428-M467 HydrophobicContact CE-CB 4.01Å; M428-M467 HydrophobicContact CE-CG 4.2Å; M428-M467 HydrophobicContact CE-SD 3.97Å; Y431-M467 HydrophobicContact CD1-SD 4.2Å; Y431-M467 HydrophobicContact CE1-SD 4Å; R457-M467 HydrophobicContact CB-CB 3.92Å; R457-M467 HydrophobicContact CB-SD 4.23Å; Y458-M467 CarbonylContact O-C 3.26Å; Y458-M467 VanDerWaalsContact O-CA 3.26Å; Y458-M467 WeakPolarHBondContact O-CA 3.22Å; H459-M467 VanDerWaalsContact NE2-CE 3.26Å; H459-M467 WeakPolarHBondContact NE2-CE 3.47Å
468	C	94.3	Very high	94	Very high	14 Å²	14	50.8 Å²	50.8	10%	0.095	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	161.7	176.7	65.7	0	0	0	0	111.2	R457 Y458 T460 D472 R476	R457-C468 WeakPolarHBondContact CA-O 3.28Å; Y458-C468 PolarHBondContact N-O 2.87Å; Y458-C468 PolarHBondContact O-N 3.12Å; T460-C468 WeakPolarHBondContact CG2-SG 3.43Å; C468-D472 HydrophobicContact CB-CB 4.37Å; C468-R476 PolarHBondContact SG-NH2 2.99Å
469	S	96.4	Very high	93.7	Very high	10 Å²	10	60.4 Å²	60.4	7%	0.07	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	161.4	175.9	71.4	0	0	0	0	111.7	L456 A471 D472 Y473	L456-S469 WeakPolarHBondContact O-CA 3.47Å; S469-A471 PolarHBondContact O-N 2.91Å; S469-A471 PolarHBondContact OG-N 2.8Å; S469-D472 PolarHBondContact N-OD2 3.02Å; S469-D472 PolarHBondContact O-N 2.54Å; S469-D472 PolarHBondContact OG-N 3.14Å; S469-D472 PolarHBondContact OG-OD2 3.22Å; S469-Y473 PolarHBondContact O-N 2.77Å; S469-Y473 VanDerWaalsContact O-N 3.11Å
470	L	96.9	Very high	93.4	Very high	3 Å²	3	63 Å²	63	2%	0.016	35%	0.345	C	S	.	.	H	α-helix	trans	-63.5	-31.8	169.5	-66.9	-179.8	0	0	0	111.6	L456 Y458 D472 Y473 V474 V512 L526 Y529	L456-L470 HydrophobicContact CD1-CD1 3.99Å; Y458-L470 HydrophobicContact CD2-CD2 4.23Å; L470-D472 VanDerWaalsContact C-N 3.33Å; L470-D472 PolarHBondContact O-N 3.39Å; L470-Y473 WeakPolarHBondContact O-CB 3.2Å; L470-Y473 PolarHBondContact O-N 2.98Å; L470-V474 WeakPolarHBondContact O-CG2 3.45Å; L470-V474 PolarHBondContact O-N 3.3Å; L470-V512 HydrophobicContact CD2-CG2 4.4Å; L470-L526 HydrophobicContact CD1-CD2 3.97Å; L470-Y529 VanDerWaalsContact C-CE1 3.49Å; L470-Y529 HydrophobicContact CB-CD1 3.74Å; L470-Y529 HydrophobicContact CB-CD2 4.36Å; L470-Y529 HydrophobicContact CB-CE1 3.43Å; L470-Y529 VanDerWaalsContact CB-CE1 3.43Å; L470-Y529 HydrophobicContact CB-CE2 4.12Å; L470-Y529 HydrophobicContact CB-CG 4.17Å; L470-Y529 HydrophobicContact CD1-CD1 4.4Å; L470-Y529 HydrophobicContact CD1-CD2 4.06Å; L470-Y529 HydrophobicContact CD1-CE2 4.42Å; L470-Y529 HydrophobicContact CD1-CG 4.04Å
471	A	95.8	Very high	93.2	Very high	17 Å²	17	63 Å²	63	14%	0.14	35%	0.345	C	S	.	.	H	α-helix	trans	-61.1	-42.7	173.6	0	0	0	0	0	111.4	S469 V474 K475 Y529	S469-A471 PolarHBondContact O-N 2.91Å; S469-A471 PolarHBondContact OG-N 2.8Å; A471-V474 PolarHBondContact O-N 3.06Å; A471-K475 WeakPolarHBondContact O-CG 3.39Å; A471-K475 PolarHBondContact O-N 3.16Å; A471-Y529 WeakPolarHBondContact CA-OH 3.28Å; A471-Y529 WeakPolarHBondContact CB-OH 3.46Å; A471-Y529 PolarHBondContact N-OH 3.4Å
472	D	94.9	Very high	93	Very high	51 Å²	51	66.1 Å²	66.1	27%	0.273	36%	0.363	S	S	.	.	H	α-helix	trans	-69.5	-34.9	178.9	-58.2	-42	0	0	0	112	C468 S469 L470 K475 R476	C468-D472 HydrophobicContact CB-CB 4.37Å; S469-D472 PolarHBondContact N-OD2 3.02Å; S469-D472 PolarHBondContact O-N 2.54Å; S469-D472 PolarHBondContact OG-N 3.14Å; S469-D472 PolarHBondContact OG-OD2 3.22Å; L470-D472 VanDerWaalsContact C-N 3.33Å; L470-D472 PolarHBondContact O-N 3.39Å; D472-K475 PolarHBondContact O-N 2.84Å; D472-K475 IonicContact OD1-NZ 2.72Å; D472-K475 PolarHBondContact OD1-NZ 2.99Å; D472-R476 VanDerWaalsContact O-CZ 3.26Å; D472-R476 PolarHBondContact O-N 2.9Å; D472-R476 PolarHBondContact O-NH1 3.08Å
473	Y	96.9	Very high	93.1	Very high	2 Å²	2	63.7 Å²	63.7	1%	0.008	34%	0.341	C	S	.	.	H	α-helix	trans	-58.3	-49.6	168.5	-179.9	-78.2	0	0	0	110.7	T460 S469 L470 K475 R476 M477 Q481 I484 Y485 E510 V512	T460-Y473 HydrophobicContact CG2-CD2 4.46Å; S469-Y473 PolarHBondContact O-N 2.77Å; S469-Y473 VanDerWaalsContact O-N 3.11Å; L470-Y473 WeakPolarHBondContact O-CB 3.2Å; L470-Y473 PolarHBondContact O-N 2.98Å; Y473-K475 VanDerWaalsContact C-N 3.3Å; Y473-K475 PolarHBondContact O-N 2.8Å; Y473-R476 CarbonylContact O-C 3.56Å; Y473-R476 WeakPolarHBondContact O-CA 3.49Å; Y473-R476 PolarHBondContact O-N 3.49Å; Y473-M477 HydrophobicContact CD1-CG 3.88Å; Y473-M477 HydrophobicContact CD1-SD 4.23Å; Y473-M477 HydrophobicContact CE1-CG 3.66Å; Y473-M477 HydrophobicContact CE1-SD 4.05Å; Y473-M477 PolarHBondContact O-N 3.46Å; Y473-M477 VanDerWaalsContact O-N 3.07Å; Y473-Q481 PolarHBondContact OH-NE2 3Å; Y473-I484 HydrophobicContact CD1-CB 4.4Å; Y473-I484 HydrophobicContact CD1-CD1 4.46Å; Y473-I484 HydrophobicContact CD1-CG1 3.94Å; Y473-I484 HydrophobicContact CD1-CG2 3.96Å; Y473-I484 HydrophobicContact CE1-CB 3.89Å; Y473-I484 HydrophobicContact CE1-CG1 3.74Å; Y473-I484 HydrophobicContact CE1-CG2 3.65Å; Y473-I484 HydrophobicContact CE2-CG2 4.42Å; Y473-Y485 PolarHBondContact OH-N 2.96Å; Y473-Y485 VanDerWaalsContact OH-N 3.08Å; Y473-E510 HydrophobicContact CD2-CB 4.14Å; Y473-E510 HydrophobicContact CD2-CG 3.79Å; Y473-E510 HydrophobicContact CE2-CB 3.61Å; Y473-E510 HydrophobicContact CE2-CG 3.65Å; Y473-E510 VanDerWaalsContact CE2-O 3.29Å; Y473-E510 WeakPolarHBondContact CE2-O 3.16Å; Y473-E510 PolarHBondContact OH-O 3.03Å; Y473-V512 HydrophobicContact CD2-CG2 3.65Å; Y473-V512 HydrophobicContact CE2-CG2 3.74Å; Y473-V512 HydrophobicContact CG-CG2 4.35Å
474	V	96.1	Very high	93.5	Very high	31 Å²	31	62.4 Å²	62.4	19%	0.188	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-39.6	-179.3	172.4	0	0	0	0	111.6	L470 A471 R476 M477 I484 Y529	L470-V474 WeakPolarHBondContact O-CG2 3.45Å; L470-V474 PolarHBondContact O-N 3.3Å; A471-V474 PolarHBondContact O-N 3.06Å; V474-R476 PolarHBondContact O-N 2.97Å; V474-M477 HydrophobicContact CB-SD 4.24Å; V474-M477 HydrophobicContact CG1-SD 4.27Å; V474-M477 HydrophobicContact CG2-SD 4.01Å; V474-M477 WeakPolarHBondContact O-CB 3.5Å; V474-M477 PolarHBondContact O-N 2.77Å; V474-I484 HydrophobicContact CG2-CD1 4.06Å; V474-Y529 HydrophobicContact CG2-CD1 3.91Å; V474-Y529 HydrophobicContact CG2-CE1 3.92Å
475	K	95	Very high	94.1	Very high	160 Å²	160	59.8 Å²	59.8	70%	0.696	30%	0.304	S	S	*	.	H	α-helix	trans	-62	-27.5	174.4	-68.2	170.5	-162	159.1	0	113.5	A471 D472 Y473	A471-K475 WeakPolarHBondContact O-CG 3.39Å; A471-K475 PolarHBondContact O-N 3.16Å; D472-K475 PolarHBondContact O-N 2.84Å; D472-K475 IonicContact OD1-NZ 2.72Å; D472-K475 PolarHBondContact OD1-NZ 2.99Å; Y473-K475 VanDerWaalsContact C-N 3.3Å; Y473-K475 PolarHBondContact O-N 2.8Å
476	R	94.6	Very high	94.6	Very high	112 Å²	112	55.3 Å²	55.3	42%	0.423	27%	0.271	S	S	.	.	H	α-helix	trans	-95.9	-1.8	179.1	-68.1	-171.9	-60.9	-85.1	-2.8	113.8	C468 D472 Y473 V474 E510	C468-R476 PolarHBondContact SG-NH2 2.99Å; D472-R476 VanDerWaalsContact O-CZ 3.26Å; D472-R476 PolarHBondContact O-N 2.9Å; D472-R476 PolarHBondContact O-NH1 3.08Å; Y473-R476 CarbonylContact O-C 3.56Å; Y473-R476 WeakPolarHBondContact O-CA 3.49Å; Y473-R476 PolarHBondContact O-N 3.49Å; V474-R476 PolarHBondContact O-N 2.97Å; R476-E510 IonicContact CZ-OE1 3.55Å; R476-E510 IonicContact CZ-OE2 2.63Å; R476-E510 IonicContact NE-OE1 2.81Å; R476-E510 PolarHBondContact NE-OE1 3.47Å; R476-E510 IonicContact NE-OE2 3.37Å; R476-E510 PolarHBondContact NE-OE2 3.09Å; R476-E510 IonicContact NH2-OE1 3.43Å; R476-E510 PolarHBondContact NH2-OE1 3.23Å; R476-E510 IonicContact NH2-OE2 3.99Å
477	M	94.9	Very high	94.8	Very high	28 Å²	28	48.6 Å²	48.6	14%	0.138	24%	0.24	C	C	.	.			trans	-60.6	140.1	176.5	-73.4	177.5	70.1	0	0	110.6	Y473 V474 Q481 C483 I484 K532	Y473-M477 HydrophobicContact CD1-CG 3.88Å; Y473-M477 HydrophobicContact CD1-SD 4.23Å; Y473-M477 HydrophobicContact CE1-CG 3.66Å; Y473-M477 HydrophobicContact CE1-SD 4.05Å; Y473-M477 PolarHBondContact O-N 3.46Å; Y473-M477 VanDerWaalsContact O-N 3.07Å; V474-M477 HydrophobicContact CB-SD 4.24Å; V474-M477 HydrophobicContact CG1-SD 4.27Å; V474-M477 HydrophobicContact CG2-SD 4.01Å; V474-M477 WeakPolarHBondContact O-CB 3.5Å; V474-M477 PolarHBondContact O-N 2.77Å; M477-Q481 HydrophobicContact CB-CB 4.46Å; M477-Q481 HydrophobicContact CE-CB 4.07Å; M477-Q481 HydrophobicContact CE-CG 3.71Å; M477-Q481 WeakPolarHBondContact CE-O 3.3Å; M477-C483 WeakPolarHBondContact CE-O 3.22Å; M477-I484 HydrophobicContact SD-CG1 4.32Å; M477-K532 HydrophobicContact CE-CD 4.01Å; M477-K532 HydrophobicContact CE-CG 4.16Å; M477-K532 HydrophobicContact SD-CG 4.14Å
478	K	93	Very high	94.9	Very high	85 Å²	85	46.3 Å²	46.3	37%	0.37	23%	0.231	S	C	.	.			trans	-69.2	154.5	173.5	-62.5	-171.3	176.2	178.6	0	110.8	N480 Q481 R507 G508 F509	K478-N480 VanDerWaalsContact CB-OD1 3.3Å; K478-N480 WeakPolarHBondContact CB-OD1 3.39Å; K478-N480 PolarHBondContact O-N 3.16Å; K478-Q481 HydrophobicContact CB-CB 4.23Å; K478-Q481 VanDerWaalsContact O-CB 3.24Å; K478-Q481 WeakPolarHBondContact O-CB 3.47Å; K478-Q481 PolarHBondContact O-N 3.04Å; K478-R507 PolarHBondContact NZ-O 2.84Å; K478-G508 WeakPolarHBondContact CE-O 3.37Å; K478-G508 PolarHBondContact NZ-O 2.94Å; K478-F509 HydrophobicContact CB-CE1 4.13Å; K478-F509 HydrophobicContact CD-CD1 3.99Å; K478-F509 HydrophobicContact CD-CE1 3.68Å; K478-F509 HydrophobicContact CD-CZ 4.38Å; K478-F509 HydrophobicContact CG-CD1 4.34Å; K478-F509 HydrophobicContact CG-CE1 4.19Å
479	E	90.4	Very high	94.9	Very high	210 Å²	210	46.2 Å²	46.2	98%	0.981	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-33.8	179.3	-64.6	-177.3	172.4	0	0	113.2	Q481	E479-Q481 VanDerWaalsContact C-N 3.32Å
480	N	89.9	Confident	94.7	Very high	90 Å²	90	51.9 Å²	51.9	48%	0.481	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	4.1	177.4	66.9	-19.9	0	0	0	114.1	K478 P545	K478-N480 VanDerWaalsContact CB-OD1 3.3Å; K478-N480 WeakPolarHBondContact CB-OD1 3.39Å; K478-N480 PolarHBondContact O-N 3.16Å; N480-P545 HydrophobicContact CB-CB 4.35Å; N480-P545 VanDerWaalsContact ND2-CB 3.29Å; N480-P545 WeakPolarHBondContact ND2-CB 3.12Å; N480-P545 VanDerWaalsContact O-CG 3.23Å; N480-P545 WeakPolarHBondContact O-CG 3.43Å
481	Q	92.7	Very high	94.6	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.023	27%	0.273	C	S	.	.			trans	-95.1	121.6	-179	-167.3	-176	-17.7	0	0	111	Y473 M477 K478 E479 C483 Y485 F509	Y473-Q481 PolarHBondContact OH-NE2 3Å; M477-Q481 HydrophobicContact CB-CB 4.46Å; M477-Q481 HydrophobicContact CE-CB 4.07Å; M477-Q481 HydrophobicContact CE-CG 3.71Å; M477-Q481 WeakPolarHBondContact CE-O 3.3Å; K478-Q481 HydrophobicContact CB-CB 4.23Å; K478-Q481 VanDerWaalsContact O-CB 3.24Å; K478-Q481 WeakPolarHBondContact O-CB 3.47Å; K478-Q481 PolarHBondContact O-N 3.04Å; E479-Q481 VanDerWaalsContact C-N 3.32Å; Q481-C483 WeakPolarHBondContact CG-O 3.45Å; Q481-C483 PolarHBondContact NE2-O 3.23Å; Q481-Y485 HydrophobicContact CG-CE2 3.93Å; Q481-F509 HydrophobicContact CB-CD1 4.34Å; Q481-F509 HydrophobicContact CB-CE1 4.05Å; Q481-F509 HydrophobicContact CG-CD1 4.13Å; Q481-F509 HydrophobicContact CG-CE1 4.23Å
482	T	91.9	Very high	94.5	Very high	105 Å²	105	56.3 Å²	56.3	64%	0.644	28%	0.282	S	S	*	.			trans	-104.4	-12.3	-177	55.8	0	0	0	0	114.1	K532	T482-K532 WeakPolarHBondContact O-CD 3.24Å
483	C	95.2	Very high	94.4	Very high	13 Å²	13	60.9 Å²	60.9	9%	0.088	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.2	-175	57.1	0	0	0	0	112.7	M477 Q481 Y485 N533 V535	M477-C483 WeakPolarHBondContact CE-O 3.22Å; Q481-C483 WeakPolarHBondContact CG-O 3.45Å; Q481-C483 PolarHBondContact NE2-O 3.23Å; C483-Y485 WeakPolarHBondContact SG-CE1 3.45Å; C483-N533 CarbonylContact C-O 3.5Å; C483-N533 VanDerWaalsContact CA-O 3.31Å; C483-N533 WeakPolarHBondContact CA-O 3.5Å; C483-N533 VanDerWaalsContact CB-O 3.23Å; C483-N533 WeakPolarHBondContact CB-O 3.34Å; C483-V535 HydrophobicContact CB-CB 4.44Å; C483-V535 HydrophobicContact CB-CG2 3.71Å
484	I	96.8	Very high	94.3	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.5	174.8	-61.2	174.2	0	0	0	107.9	Y473 V474 M477 V512 Y529 K532 N533 L534 V535	Y473-I484 HydrophobicContact CD1-CB 4.4Å; Y473-I484 HydrophobicContact CD1-CD1 4.46Å; Y473-I484 HydrophobicContact CD1-CG1 3.94Å; Y473-I484 HydrophobicContact CD1-CG2 3.96Å; Y473-I484 HydrophobicContact CE1-CB 3.89Å; Y473-I484 HydrophobicContact CE1-CG1 3.74Å; Y473-I484 HydrophobicContact CE1-CG2 3.65Å; Y473-I484 HydrophobicContact CE2-CG2 4.42Å; V474-I484 HydrophobicContact CG2-CD1 4.06Å; M477-I484 HydrophobicContact SD-CG1 4.32Å; I484-V512 HydrophobicContact CG2-CG2 3.99Å; I484-Y529 HydrophobicContact CD1-CD1 3.99Å; I484-K532 HydrophobicContact CD1-CB 4.28Å; I484-K532 HydrophobicContact CG1-CB 4.09Å; I484-N533 PolarHBondContact N-O 2.93Å; I484-L534 HydrophobicContact CB-CG 4.29Å; I484-L534 HydrophobicContact CD1-CD1 4.35Å; I484-L534 HydrophobicContact CG2-CG 4.49Å; I484-V535 PolarHBondContact O-N 2.94Å
485	Y	96.9	Very high	94.2	Very high	2 Å²	2	62 Å²	62	1%	0.008	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	130.3	178.6	-59.7	-68.7	0	0	0	110.6	Y473 Q481 C483 V504 F509 V511 V512 V535 V537 L542 E543 L544 P545	Y473-Y485 PolarHBondContact OH-N 2.96Å; Y473-Y485 VanDerWaalsContact OH-N 3.08Å; Q481-Y485 HydrophobicContact CG-CE2 3.93Å; C483-Y485 WeakPolarHBondContact SG-CE1 3.45Å; Y485-V504 HydrophobicContact CD2-CG1 4.29Å; Y485-V504 HydrophobicContact CG-CG1 4.38Å; Y485-F509 HydrophobicContact CD2-CB 4.13Å; Y485-F509 HydrophobicContact CE2-CB 4.18Å; Y485-F509 HydrophobicContact CE2-CD1 4.26Å; Y485-F509 HydrophobicContact CE2-CG 4.07Å; Y485-V511 WeakPolarHBondContact O-CA 3.47Å; Y485-V512 PolarHBondContact O-N 2.85Å; Y485-V535 WeakPolarHBondContact CA-O 3.27Å; Y485-V535 HydrophobicContact CD1-CB 4.49Å; Y485-V537 HydrophobicContact CD1-CG1 4.33Å; Y485-L542 HydrophobicContact CD1-CD1 3.82Å; Y485-L542 HydrophobicContact CE1-CD1 3.71Å; Y485-E543 PolarHBondContact OH-O 3.13Å; Y485-L544 HydrophobicContact CD1-CD2 4.42Å; Y485-L544 HydrophobicContact CE1-CD2 3.77Å; Y485-L544 HydrophobicContact CE2-CD2 4.19Å; Y485-P545 WeakPolarHBondContact OH-CD 3.29Å
486	F	97	Very high	94.2	Very high	17 Å²	17	55.6 Å²	55.6	8%	0.075	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	159.3	176.6	75.7	-89	0	0	0	112.4	V512 M514 V523 L534 V535 S536 V537	F486-V512 CarbonylContact C-O 3.53Å; F486-V512 VanDerWaalsContact CA-O 3.31Å; F486-V512 WeakPolarHBondContact CA-O 3.32Å; F486-V512 HydrophobicContact CB-CB 3.94Å; F486-M514 HydrophobicContact CB-CE 4.06Å; F486-M514 HydrophobicContact CB-SD 4.33Å; F486-M514 HydrophobicContact CD2-CE 4.23Å; F486-M514 HydrophobicContact CD2-SD 3.62Å; F486-M514 HydrophobicContact CE2-SD 4.22Å; F486-M514 HydrophobicContact CG-CE 4.18Å; F486-M514 HydrophobicContact CG-SD 4.18Å; F486-V523 HydrophobicContact CE2-CB 4.34Å; F486-V523 HydrophobicContact CE2-CG1 4.32Å; F486-V523 HydrophobicContact CE2-CG2 4Å; F486-V523 HydrophobicContact CZ-CB 4.17Å; F486-V523 HydrophobicContact CZ-CG1 4.47Å; F486-V523 HydrophobicContact CZ-CG2 4.07Å; F486-L534 HydrophobicContact CD1-CB 4.01Å; F486-L534 HydrophobicContact CE1-CB 3.86Å; F486-V535 WeakPolarHBondContact CD1-O 3.33Å; F486-V535 VanDerWaalsContact CE1-C 3.45Å; F486-V535 PolarHBondContact N-O 3.02Å; F486-S536 VanDerWaalsContact CE1-N 3.32Å; F486-S536 WeakPolarHBondContact O-CA 3.46Å; F486-V537 WeakPolarHBondContact O-CG2 3.05Å; F486-V537 PolarHBondContact O-N 3.1Å
487	I	97	Very high	94.1	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	134.1	170.8	-176.3	167.5	0	0	0	109.5	V495 F500 V501 V511 V512 Y513 M514 V537 T538	I487-V495 HydrophobicContact CD1-CB 4.18Å; I487-V495 HydrophobicContact CD1-CG1 4.4Å; I487-V495 HydrophobicContact CG1-CB 4.19Å; I487-V495 HydrophobicContact CG1-CG1 4.12Å; I487-V495 HydrophobicContact CG2-CB 3.77Å; I487-V495 HydrophobicContact CG2-CG1 4.38Å; I487-V495 HydrophobicContact CG2-CG2 4.32Å; I487-F500 HydrophobicContact CD1-CB 4.28Å; I487-F500 HydrophobicContact CD1-CD2 4.34Å; I487-V501 HydrophobicContact CB-CG1 4.46Å; I487-V501 HydrophobicContact CD1-CG1 4.14Å; I487-V501 HydrophobicContact CG2-CG1 4.07Å; I487-V511 HydrophobicContact CB-CG1 4.36Å; I487-V511 HydrophobicContact CG2-CG1 3.79Å; I487-V512 PolarHBondContact N-O 2.76Å; I487-Y513 HydrophobicContact CG2-CD1 3.49Å; I487-Y513 VanDerWaalsContact CG2-CD1 3.49Å; I487-Y513 HydrophobicContact CG2-CE1 3.86Å; I487-M514 PolarHBondContact O-N 2.81Å; I487-V537 HydrophobicContact CB-CG2 3.7Å; I487-V537 HydrophobicContact CD1-CG2 4.17Å; I487-V537 HydrophobicContact CG1-CG2 4.19Å; I487-T538 HydrophobicContact CD1-CG2 4.19Å; I487-T538 HydrophobicContact CG1-CG2 3.9Å
488	A	95.9	Very high	94.1	Very high	13 Å²	13	56.1 Å²	56.1	11%	0.107	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.4	173.7	0	0	0	0	0	110.5	M514 E520	A488-M514 CarbonylContact C-O 3.55Å; A488-M514 VanDerWaalsContact CA-O 3.28Å; A488-M514 WeakPolarHBondContact CA-O 3.43Å; A488-M514 HydrophobicContact CB-CB 4.12Å; A488-E520 HydrophobicContact CB-CG 4.15Å; A488-E520 WeakPolarHBondContact CB-OE1 3.22Å
489	G	94.1	Very high	94.1	Very high	12 Å²	12	52.5 Å²	52.5	12%	0.124	29%	0.29	C	S	.	.			trans	-167	-166.3	-179.7	0	0	0	0	0	113.4	M514	G489-M514 PolarHBondContact N-O 3.23Å
490	E	91.9	Very high	94.3	Very high	128 Å²	128	42.7 Å²	42.7	60%	0.598	24%	0.244	S	C	*	.	S	Bend	trans	-81.3	-31.2	-171.7	-61.8	-172.4	163.1	0	0	114.4	R605	E490-R605 WeakPolarHBondContact OE1-CD 3.47Å; E490-R605 IonicContact OE1-CZ 3.72Å; E490-R605 IonicContact OE1-NE 3.04Å; E490-R605 PolarHBondContact OE1-NE 3.22Å; E490-R605 IonicContact OE1-NH1 2.8Å
491	S	94.5	Very high	94.5	Very high	50 Å²	50	38.4 Å²	38.4	35%	0.35	22%	0.221	S	C	.	.			trans	-154.6	160.6	-176.6	76.2	0	0	0	0	111	E493 A494 V495	S491-E493 VanDerWaalsContact C-N 3.28Å; S491-E493 PolarHBondContact O-N 3.05Å; S491-A494 PolarHBondContact O-N 3Å; S491-A494 WeakPolarHBondContact OG-CB 3.46Å; S491-A494 PolarHBondContact OG-N 3.27Å; S491-A494 VanDerWaalsContact OG-N 3.15Å; S491-V495 WeakPolarHBondContact O-CG2 3.45Å; S491-V495 PolarHBondContact O-N 3.41Å; S491-V495 VanDerWaalsContact O-N 3.14Å
492	L	94.1	Very high	94.5	Very high	63 Å²	63	39.8 Å²	39.8	33%	0.33	23%	0.227	S	C	.	.	H	α-helix	trans	-59.7	-40.9	178.8	-175.5	63	0	0	0	111.4	H459 V495 A496 Y513 V515	H459-L492 HydrophobicContact CB-CD1 3.72Å; L492-V495 WeakPolarHBondContact O-CG2 3.47Å; L492-A496 WeakPolarHBondContact O-CB 3.38Å; L492-A496 PolarHBondContact O-N 3.01Å; L492-Y513 HydrophobicContact CD1-CD2 3.54Å; L492-Y513 HydrophobicContact CD1-CE2 4.42Å; L492-Y513 HydrophobicContact CD1-CG 3.91Å; L492-V515 HydrophobicContact CB-CG1 4.41Å
493	E	93.8	Very high	94.4	Very high	148 Å²	148	35 Å²	35	69%	0.692	20%	0.199	S	C	*	.	H	α-helix	trans	-65.9	-42.7	178.5	-65	179.3	178.6	0	0	112.1	S491 A496 N497	S491-E493 VanDerWaalsContact C-N 3.28Å; S491-E493 PolarHBondContact O-N 3.05Å; E493-A496 PolarHBondContact O-N 3.34Å; E493-N497 WeakPolarHBondContact O-CB 3.39Å; E493-N497 PolarHBondContact O-N 3.1Å; E493-N497 VanDerWaalsContact O-N 3.12Å; E493-N497 PolarHBondContact O-ND2 3.47Å; E493-N497 VanDerWaalsContact O-ND2 3.15Å
494	A	93.6	Very high	94.3	Very high	53 Å²	53	34.4 Å²	34.4	44%	0.438	20%	0.195	S	C	.	.	H	α-helix	trans	-62.8	-45.1	179.9	0	0	0	0	0	111.5	S491 S498	S491-A494 PolarHBondContact O-N 3Å; S491-A494 WeakPolarHBondContact OG-CB 3.46Å; S491-A494 PolarHBondContact OG-N 3.27Å; S491-A494 VanDerWaalsContact OG-N 3.15Å; A494-S498 PolarHBondContact O-N 3.36Å
495	V	94.7	Very high	94.1	Very high	4 Å²	4	38.3 Å²	38.3	2%	0.024	21%	0.212	C	C	.	.	H	α-helix	trans	-76.4	-31.9	-179.9	-59.9	0	0	0	0	113	I487 S491 L492 N497 S498 Y513 V515	I487-V495 HydrophobicContact CD1-CB 4.18Å; I487-V495 HydrophobicContact CD1-CG1 4.4Å; I487-V495 HydrophobicContact CG1-CB 4.19Å; I487-V495 HydrophobicContact CG1-CG1 4.12Å; I487-V495 HydrophobicContact CG2-CB 3.77Å; I487-V495 HydrophobicContact CG2-CG1 4.38Å; I487-V495 HydrophobicContact CG2-CG2 4.32Å; S491-V495 WeakPolarHBondContact O-CG2 3.45Å; S491-V495 PolarHBondContact O-N 3.41Å; S491-V495 VanDerWaalsContact O-N 3.14Å; L492-V495 WeakPolarHBondContact O-CG2 3.47Å; V495-N497 VanDerWaalsContact C-N 3.32Å; V495-N497 PolarHBondContact O-N 2.85Å; V495-S498 WeakPolarHBondContact O-CB 3.34Å; V495-S498 PolarHBondContact O-N 3.2Å; V495-Y513 HydrophobicContact CB-CD1 4.2Å; V495-Y513 HydrophobicContact CG2-CD1 3.53Å; V495-Y513 HydrophobicContact CG2-CE1 4.23Å; V495-Y513 HydrophobicContact CG2-CG 3.83Å; V495-V515 HydrophobicContact CG2-CG1 4.28Å
496	A	94.2	Very high	93.8	Very high	24 Å²	24	45.9 Å²	45.9	20%	0.198	25%	0.245	C	C	.	.	H	α-helix	trans	-68	-33.4	177.7	0	0	0	0	0	112.5	L492 E493 K505 Y513	L492-A496 WeakPolarHBondContact O-CB 3.38Å; L492-A496 PolarHBondContact O-N 3.01Å; E493-A496 PolarHBondContact O-N 3.34Å; A496-K505 PolarHBondContact O-NZ 2.88Å; A496-Y513 HydrophobicContact CB-CE2 4.3Å
497	N	93.2	Very high	93.5	Very high	136 Å²	136	48.4 Å²	48.4	73%	0.727	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	5.8	178.6	-65.7	-39.6	0	0	0	113.7	E493 V495	E493-N497 WeakPolarHBondContact O-CB 3.39Å; E493-N497 PolarHBondContact O-N 3.1Å; E493-N497 VanDerWaalsContact O-N 3.12Å; E493-N497 PolarHBondContact O-ND2 3.47Å; E493-N497 VanDerWaalsContact O-ND2 3.15Å; V495-N497 VanDerWaalsContact C-N 3.32Å; V495-N497 PolarHBondContact O-N 2.85Å
498	S	94.7	Very high	93.2	Very high	15 Å²	15	50.3 Å²	50.3	11%	0.105	27%	0.274	C	S	.	.			trans	-65.6	142.8	-179.3	-177.9	0	0	0	0	112.2	A494 V495 F500 V501	A494-S498 PolarHBondContact O-N 3.36Å; V495-S498 WeakPolarHBondContact O-CB 3.34Å; V495-S498 PolarHBondContact O-N 3.2Å; S498-F500 PolarHBondContact O-N 3.46Å; S498-F500 VanDerWaalsContact OG-CD2 3.23Å; S498-F500 WeakPolarHBondContact OG-CD2 3.38Å; S498-F500 PolarHBondContact OG-N 2.92Å; S498-V501 WeakPolarHBondContact O-CG2 3.29Å; S498-V501 PolarHBondContact O-N 2.92Å
499	S	93.4	Very high	93.2	Very high	9 Å²	9	50 Å²	50	6%	0.063	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-59.6	-26.9	174.4	58.2	0	0	0	0	112.7	V501 E502 S588	S499-V501 VanDerWaalsContact C-N 3.28Å; S499-V501 PolarHBondContact O-N 3.13Å; S499-E502 WeakPolarHBondContact O-CG 3.38Å; S499-E502 PolarHBondContact O-N 3.37Å; S499-S588 VanDerWaalsContact CB-OG 3.27Å; S499-S588 WeakPolarHBondContact CB-OG 3.38Å
500	F	94.9	Very high	93.3	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-66.8	-23.8	-179.9	-63.2	-60.1	0	0	0	114.5	I487 S498 V537 T538 C591 I592 V593	I487-F500 HydrophobicContact CD1-CB 4.28Å; I487-F500 HydrophobicContact CD1-CD2 4.34Å; S498-F500 PolarHBondContact O-N 3.46Å; S498-F500 VanDerWaalsContact OG-CD2 3.23Å; S498-F500 WeakPolarHBondContact OG-CD2 3.38Å; S498-F500 PolarHBondContact OG-N 2.92Å; F500-V537 HydrophobicContact CB-CB 4.29Å; F500-V537 HydrophobicContact CB-CG2 3.76Å; F500-V537 WeakPolarHBondContact CD1-O 3.27Å; F500-T538 HydrophobicContact CD2-CG2 3.74Å; F500-T538 HydrophobicContact CE2-CG2 4.1Å; F500-T538 HydrophobicContact CG-CG2 4.2Å; F500-C591 HydrophobicContact CE1-CB 3.99Å; F500-C591 HydrophobicContact CZ-CB 4.32Å; F500-I592 VanDerWaalsContact CZ-O 3.27Å; F500-I592 WeakPolarHBondContact CZ-O 3.24Å; F500-V593 HydrophobicContact CD1-CG1 4.4Å; F500-V593 HydrophobicContact CE1-CG1 3.67Å
501	V	94.5	Very high	93.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.006	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-96.9	-5.2	-177.6	-59.7	0	0	0	0	113.1	I487 S498 S499 V504 K505 V511 V537	I487-V501 HydrophobicContact CB-CG1 4.46Å; I487-V501 HydrophobicContact CD1-CG1 4.14Å; I487-V501 HydrophobicContact CG2-CG1 4.07Å; S498-V501 WeakPolarHBondContact O-CG2 3.29Å; S498-V501 PolarHBondContact O-N 2.92Å; S499-V501 VanDerWaalsContact C-N 3.28Å; S499-V501 PolarHBondContact O-N 3.13Å; V501-V504 PolarHBondContact O-N 3.28Å; V501-K505 HydrophobicContact CB-CD 4.46Å; V501-K505 HydrophobicContact CG2-CD 4.15Å; V501-K505 WeakPolarHBondContact O-CB 3.37Å; V501-K505 VanDerWaalsContact O-CG 3.31Å; V501-K505 WeakPolarHBondContact O-CG 3.33Å; V501-K505 PolarHBondContact O-N 3.05Å; V501-V511 HydrophobicContact CB-CG2 4.44Å; V501-V511 HydrophobicContact CG1-CB 4.37Å; V501-V511 HydrophobicContact CG1-CG1 3.95Å; V501-V511 HydrophobicContact CG1-CG2 4.17Å; V501-V537 HydrophobicContact CG1-CG2 4.12Å
502	E	92.5	Very high	93.7	Very high	33 Å²	33	41.9 Å²	41.9	15%	0.154	22%	0.224	C	C	.	.	H	α-helix	trans	-58.6	-59.3	-174.6	-69.5	-180	172.1	0	0	112.4	S499 V504 K505 K506 V586 N587 S588	S499-E502 WeakPolarHBondContact O-CG 3.38Å; S499-E502 PolarHBondContact O-N 3.37Å; E502-V504 VanDerWaalsContact C-N 3.3Å; E502-V504 PolarHBondContact O-N 2.62Å; E502-K505 PolarHBondContact O-N 3.27Å; E502-K506 WeakPolarHBondContact O-CB 3.25Å; E502-K506 PolarHBondContact O-N 3.42Å; E502-V586 HydrophobicContact CB-CB 3.95Å; E502-V586 HydrophobicContact CB-CG2 3.8Å; E502-V586 WeakPolarHBondContact OE2-CA 3.47Å; E502-V586 PolarHBondContact OE2-N 3.49Å; E502-N587 PolarHBondContact OE2-N 3.23Å; E502-S588 PolarHBondContact OE1-OG 2.91Å; E502-S588 VanDerWaalsContact OE1-OG 3.09Å; E502-S588 PolarHBondContact OE2-N 3.16Å
503	A	90.2	Very high	93.8	Very high	6 Å²	6	39.5 Å²	39.5	5%	0.05	21%	0.21	C	C	.	.	H	α-helix	trans	-69	-31.3	179.9	0	0	0	0	0	112.2	K506 R507 L544 R584 V586	A503-K506 PolarHBondContact O-N 3.09Å; A503-R507 WeakPolarHBondContact O-CB 3.43Å; A503-R507 VanDerWaalsContact O-CG 3.29Å; A503-R507 WeakPolarHBondContact O-CG 3.48Å; A503-R507 PolarHBondContact O-N 2.97Å; A503-L544 HydrophobicContact CB-CD1 4.1Å; A503-R584 WeakPolarHBondContact CB-O 3.18Å; A503-R584 PolarHBondContact N-O 2.96Å; A503-R584 VanDerWaalsContact N-O 3.1Å; A503-V586 HydrophobicContact CB-CG2 4.04Å
504	V	93.1	Very high	94	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-61.4	-49.3	178.2	-167.5	0	0	0	0	109.7	Y485 V501 E502 R507 G508 F509 V511 V537 L542 L544	Y485-V504 HydrophobicContact CD2-CG1 4.29Å; Y485-V504 HydrophobicContact CG-CG1 4.38Å; V501-V504 PolarHBondContact O-N 3.28Å; E502-V504 VanDerWaalsContact C-N 3.3Å; E502-V504 PolarHBondContact O-N 2.62Å; V504-R507 PolarHBondContact O-N 3.24Å; V504-G508 PolarHBondContact O-N 3.39Å; V504-F509 HydrophobicContact CG1-CB 3.65Å; V504-F509 PolarHBondContact O-N 3.37Å; V504-V511 HydrophobicContact CB-CG2 3.9Å; V504-V511 HydrophobicContact CG1-CG2 3.39Å; V504-V537 HydrophobicContact CG2-CG1 4.07Å; V504-L542 HydrophobicContact CG2-CD2 4.16Å; V504-L544 HydrophobicContact CG1-CD2 4.36Å; V504-L544 HydrophobicContact CG2-CD1 4.06Å; V504-L544 HydrophobicContact CG2-CD2 4.07Å
505	K	92.4	Very high	94.1	Very high	83 Å²	83	32.3 Å²	32.3	36%	0.361	17%	0.171	S	C	.	.	H	α-helix	trans	-64	-43.9	173.5	-71.9	177.2	176.6	-175.8	0	112.3	A496 V501 E502 R507 G508 Y513	A496-K505 PolarHBondContact O-NZ 2.88Å; V501-K505 HydrophobicContact CB-CD 4.46Å; V501-K505 HydrophobicContact CG2-CD 4.15Å; V501-K505 WeakPolarHBondContact O-CB 3.37Å; V501-K505 VanDerWaalsContact O-CG 3.31Å; V501-K505 WeakPolarHBondContact O-CG 3.33Å; V501-K505 PolarHBondContact O-N 3.05Å; E502-K505 PolarHBondContact O-N 3.27Å; K505-R507 VanDerWaalsContact C-N 3.3Å; K505-R507 PolarHBondContact O-N 3.08Å; K505-G508 VanDerWaalsContact O-CA 3.29Å; K505-G508 WeakPolarHBondContact O-CA 3.15Å; K505-G508 PolarHBondContact O-N 3.37Å; K505-Y513 WeakPolarHBondContact CE-OH 3.45Å; K505-Y513 PolarHBondContact NZ-OH 3.17Å
506	K	91.1	Very high	94.1	Very high	161 Å²	161	34.7 Å²	34.7	70%	0.7	18%	0.183	S	C	*	.	H	α-helix	trans	-62	-36.3	179.8	-174.1	176.6	179.2	179.6	0	112.5	E502 A503 G508 V586	E502-K506 WeakPolarHBondContact O-CB 3.25Å; E502-K506 PolarHBondContact O-N 3.42Å; A503-K506 PolarHBondContact O-N 3.09Å; K506-G508 PolarHBondContact O-N 3.39Å; K506-V586 HydrophobicContact CB-CG2 4.36Å; K506-V586 HydrophobicContact CD-CG1 3.9Å; K506-V586 HydrophobicContact CD-CG2 3.79Å
507	R	89.7	Confident	94	Very high	70 Å²	70	35.9 Å²	35.9	26%	0.264	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	1.7	172.8	-65.2	-176.3	-170.2	-159.1	6.3	112.7	K478 A503 V504 K505 F509 L544 P545 E546	K478-R507 PolarHBondContact NZ-O 2.84Å; A503-R507 WeakPolarHBondContact O-CB 3.43Å; A503-R507 VanDerWaalsContact O-CG 3.29Å; A503-R507 WeakPolarHBondContact O-CG 3.48Å; A503-R507 PolarHBondContact O-N 2.97Å; V504-R507 PolarHBondContact O-N 3.24Å; K505-R507 VanDerWaalsContact C-N 3.3Å; K505-R507 PolarHBondContact O-N 3.08Å; R507-F509 VanDerWaalsContact C-N 3.35Å; R507-F509 HydrophobicContact CB-CD2 3.7Å; R507-F509 HydrophobicContact CB-CE2 3.72Å; R507-F509 PolarHBondContact O-N 2.93Å; R507-L544 VanDerWaalsContact NH1-CB 3.26Å; R507-L544 PolarHBondContact NH1-O 3.32Å; R507-P545 PolarHBondContact NH1-O 3.29Å; R507-E546 IonicContact NH1-OE2 2.56Å; R507-E546 IonicContact NH2-OE2 2.61Å
508	G	91.9	Very high	94.1	Very high	43 Å²	43	31.1 Å²	31.1	44%	0.443	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	23.6	177	0	0	0	0	0	114.4	K478 V504 K505 K506	K478-G508 WeakPolarHBondContact CE-O 3.37Å; K478-G508 PolarHBondContact NZ-O 2.94Å; V504-G508 PolarHBondContact O-N 3.39Å; K505-G508 VanDerWaalsContact O-CA 3.29Å; K505-G508 WeakPolarHBondContact O-CA 3.15Å; K505-G508 PolarHBondContact O-N 3.37Å; K506-G508 PolarHBondContact O-N 3.39Å
509	F	94.5	Very high	94.2	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.035	16%	0.163	C	C	.	.			trans	-85.4	145.4	171.5	-64.6	-66.2	0	0	0	110.5	K478 Q481 Y485 V504 R507 L544 P545	K478-F509 HydrophobicContact CB-CE1 4.13Å; K478-F509 HydrophobicContact CD-CD1 3.99Å; K478-F509 HydrophobicContact CD-CE1 3.68Å; K478-F509 HydrophobicContact CD-CZ 4.38Å; K478-F509 HydrophobicContact CG-CD1 4.34Å; K478-F509 HydrophobicContact CG-CE1 4.19Å; Q481-F509 HydrophobicContact CB-CD1 4.34Å; Q481-F509 HydrophobicContact CB-CE1 4.05Å; Q481-F509 HydrophobicContact CG-CD1 4.13Å; Q481-F509 HydrophobicContact CG-CE1 4.23Å; Y485-F509 HydrophobicContact CD2-CB 4.13Å; Y485-F509 HydrophobicContact CE2-CB 4.18Å; Y485-F509 HydrophobicContact CE2-CD1 4.26Å; Y485-F509 HydrophobicContact CE2-CG 4.07Å; V504-F509 HydrophobicContact CG1-CB 3.65Å; V504-F509 PolarHBondContact O-N 3.37Å; R507-F509 VanDerWaalsContact C-N 3.35Å; R507-F509 HydrophobicContact CB-CD2 3.7Å; R507-F509 HydrophobicContact CB-CE2 3.72Å; R507-F509 PolarHBondContact O-N 2.93Å; F509-L544 HydrophobicContact CD2-CD2 4.39Å; F509-P545 HydrophobicContact CE1-CG 4.13Å; F509-P545 HydrophobicContact CE2-CB 4.39Å; F509-P545 HydrophobicContact CE2-CG 4.16Å; F509-P545 HydrophobicContact CZ-CB 3.8Å; F509-P545 HydrophobicContact CZ-CG 3.5Å; F509-P545 VanDerWaalsContact CZ-CG 3.5Å
510	E	96	Very high	94.2	Very high	16 Å²	16	30.7 Å²	30.7	8%	0.075	16%	0.163	C	C	.	.			trans	-84	139.6	178	-170	175.2	157.5	0	0	110.3	T460 S461 A462 Y473 R476	T460-E510 VanDerWaalsContact CB-OE1 3.26Å; T460-E510 WeakPolarHBondContact CB-OE1 3.22Å; T460-E510 HydrophobicContact CG2-CG 4.44Å; T460-E510 WeakPolarHBondContact CG2-OE1 3.11Å; T460-E510 PolarHBondContact OG1-OE1 3.31Å; S461-E510 WeakPolarHBondContact OG-CA 3.22Å; A462-E510 HydrophobicContact CB-CG 3.82Å; Y473-E510 HydrophobicContact CD2-CB 4.14Å; Y473-E510 HydrophobicContact CD2-CG 3.79Å; Y473-E510 HydrophobicContact CE2-CB 3.61Å; Y473-E510 HydrophobicContact CE2-CG 3.65Å; Y473-E510 VanDerWaalsContact CE2-O 3.29Å; Y473-E510 WeakPolarHBondContact CE2-O 3.16Å; Y473-E510 PolarHBondContact OH-O 3.03Å; R476-E510 IonicContact CZ-OE1 3.55Å; R476-E510 IonicContact CZ-OE2 2.63Å; R476-E510 IonicContact NE-OE1 2.81Å; R476-E510 PolarHBondContact NE-OE1 3.47Å; R476-E510 IonicContact NE-OE2 3.37Å; R476-E510 PolarHBondContact NE-OE2 3.09Å; R476-E510 IonicContact NH2-OE1 3.43Å; R476-E510 PolarHBondContact NH2-OE1 3.23Å; R476-E510 IonicContact NH2-OE2 3.99Å
511	V	96.8	Very high	94.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.4	176.7	-174.2	0	0	0	0	109.9	T460 S461 Y485 I487 V501 V504 Y513	T460-V511 CarbonylContact C-O 3.49Å; T460-V511 WeakPolarHBondContact CA-O 3.46Å; T460-V511 WeakPolarHBondContact CB-O 3.44Å; S461-V511 PolarHBondContact N-O 2.9Å; S461-V511 PolarHBondContact OG-N 3.33Å; Y485-V511 WeakPolarHBondContact O-CA 3.47Å; I487-V511 HydrophobicContact CB-CG1 4.36Å; I487-V511 HydrophobicContact CG2-CG1 3.79Å; V501-V511 HydrophobicContact CB-CG2 4.44Å; V501-V511 HydrophobicContact CG1-CB 4.37Å; V501-V511 HydrophobicContact CG1-CG1 3.95Å; V501-V511 HydrophobicContact CG1-CG2 4.17Å; V504-V511 HydrophobicContact CB-CG2 3.9Å; V504-V511 HydrophobicContact CG1-CG2 3.39Å; V511-Y513 HydrophobicContact CB-CE1 4.36Å; V511-Y513 HydrophobicContact CG1-CE1 4.28Å
512	V	97.6	Very high	94.2	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.2	173.1	-175.9	0	0	0	0	110.4	Y458 T460 L470 Y473 I484 Y485 F486 I487 M514	Y458-V512 VanDerWaalsContact CB-CG1 3.47Å; Y458-V512 HydrophobicContact CD1-CG1 4.29Å; Y458-V512 HydrophobicContact CD2-CG1 3.87Å; Y458-V512 HydrophobicContact CG-CG1 3.63Å; T460-V512 HydrophobicContact CG2-CG2 4.33Å; L470-V512 HydrophobicContact CD2-CG2 4.4Å; Y473-V512 HydrophobicContact CD2-CG2 3.65Å; Y473-V512 HydrophobicContact CE2-CG2 3.74Å; Y473-V512 HydrophobicContact CG-CG2 4.35Å; I484-V512 HydrophobicContact CG2-CG2 3.99Å; Y485-V512 PolarHBondContact O-N 2.85Å; F486-V512 CarbonylContact C-O 3.53Å; F486-V512 VanDerWaalsContact CA-O 3.31Å; F486-V512 WeakPolarHBondContact CA-O 3.32Å; F486-V512 HydrophobicContact CB-CB 3.94Å; I487-V512 PolarHBondContact N-O 2.76Å; V512-M514 HydrophobicContact CG1-CE 3.99Å; V512-M514 HydrophobicContact CG1-CG 4.44Å
513	Y	97.5	Very high	94.3	Very high	13 Å²	13	31.7 Å²	31.7	5%	0.051	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.3	178.9	-61.1	-42.7	0	0	0	111.4	H459 T460 S461 I487 L492 V495 A496 K505 V511	H459-Y513 HydrophobicContact CB-CD2 4.23Å; H459-Y513 WeakPolarHBondContact O-CB 3.34Å; H459-Y513 PolarHBondContact O-N 2.91Å; T460-Y513 VanDerWaalsContact C-CE2 3.42Å; S461-Y513 WeakPolarHBondContact CB-OH 3.49Å; I487-Y513 HydrophobicContact CG2-CD1 3.49Å; I487-Y513 VanDerWaalsContact CG2-CD1 3.49Å; I487-Y513 HydrophobicContact CG2-CE1 3.86Å; L492-Y513 HydrophobicContact CD1-CD2 3.54Å; L492-Y513 HydrophobicContact CD1-CE2 4.42Å; L492-Y513 HydrophobicContact CD1-CG 3.91Å; V495-Y513 HydrophobicContact CB-CD1 4.2Å; V495-Y513 HydrophobicContact CG2-CD1 3.53Å; V495-Y513 HydrophobicContact CG2-CE1 4.23Å; V495-Y513 HydrophobicContact CG2-CG 3.83Å; A496-Y513 HydrophobicContact CB-CE2 4.3Å; K505-Y513 WeakPolarHBondContact CE-OH 3.45Å; K505-Y513 PolarHBondContact NZ-OH 3.17Å; V511-Y513 HydrophobicContact CB-CE1 4.36Å; V511-Y513 HydrophobicContact CG1-CE1 4.28Å
514	M	97.3	Very high	94.4	Very high	3 Å²	3	34.9 Å²	34.9	2%	0.015	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.5	179.7	-68.5	175.3	-178.1	0	0	109.4	Y458 F486 I487 A488 G489 V512 D519 V523	Y458-M514 HydrophobicContact CD1-CG 4Å; Y458-M514 HydrophobicContact CE1-CE 4.31Å; Y458-M514 HydrophobicContact CE1-CG 3.81Å; Y458-M514 HydrophobicContact CE2-CE 4.21Å; F486-M514 HydrophobicContact CB-CE 4.06Å; F486-M514 HydrophobicContact CB-SD 4.33Å; F486-M514 HydrophobicContact CD2-CE 4.23Å; F486-M514 HydrophobicContact CD2-SD 3.62Å; F486-M514 HydrophobicContact CE2-SD 4.22Å; F486-M514 HydrophobicContact CG-CE 4.18Å; F486-M514 HydrophobicContact CG-SD 4.18Å; I487-M514 PolarHBondContact O-N 2.81Å; A488-M514 CarbonylContact C-O 3.55Å; A488-M514 VanDerWaalsContact CA-O 3.28Å; A488-M514 WeakPolarHBondContact CA-O 3.43Å; A488-M514 HydrophobicContact CB-CB 4.12Å; G489-M514 PolarHBondContact N-O 3.23Å; V512-M514 HydrophobicContact CG1-CE 3.99Å; V512-M514 HydrophobicContact CG1-CG 4.44Å; M514-D519 HydrophobicContact CB-CB 3.72Å; M514-D519 HydrophobicContact CG-CB 4.14Å; M514-D519 HydrophobicContact SD-CB 4.31Å; M514-V523 HydrophobicContact CE-CG1 3.42Å; M514-V523 VanDerWaalsContact CE-CG1 3.42Å; M514-V523 HydrophobicContact SD-CG1 3.29Å; M514-V523 WeakPolarHBondContact SD-CG1 3.21Å
515	V	95.3	Very high	94.5	Very high	47 Å²	47	38.3 Å²	38.3	29%	0.285	20%	0.197	S	C	.	.			trans	-131.4	-11.8	-166.8	-60.5	0	0	0	0	112.8	L492 V495 D519	L492-V515 HydrophobicContact CB-CG1 4.41Å; V495-V515 HydrophobicContact CG2-CG1 4.28Å; V515-D519 PolarHBondContact N-OD2 3.28Å; V515-D519 VanDerWaalsContact N-OD2 3.1Å
516	D	94.4	Very high	94.6	Very high	54 Å²	54	34.9 Å²	34.9	29%	0.289	18%	0.183	S	C	.	.	S	Bend	trans	-86.3	142.2	173.4	-65.8	-41.4	0	0	0	109.8	K439 I518 D519	K439-D516 IonicContact NZ-OD2 2.98Å; K439-D516 PolarHBondContact NZ-OD2 3.07Å; D516-I518 HydrophobicContact CB-CG2 4.06Å; D516-I518 PolarHBondContact O-N 3.15Å; D516-I518 VanDerWaalsContact O-N 3.12Å; D516-D519 PolarHBondContact N-OD2 3.5Å; D516-D519 VanDerWaalsContact O-CB 3.25Å; D516-D519 WeakPolarHBondContact O-CB 3.48Å; D516-D519 PolarHBondContact O-N 3.43Å
517	A	93.4	Very high	94.6	Very high	50 Å²	50	34.8 Å²	34.8	41%	0.413	18%	0.183	S	C	.	.	H	α-helix	trans	-56.8	-31.8	176.5	0	0	0	0	0	113	D519 Y521 I606	A517-D519 VanDerWaalsContact C-N 3.25Å; A517-D519 PolarHBondContact O-N 3.14Å; A517-Y521 WeakPolarHBondContact O-CD2 3.29Å; A517-I606 HydrophobicContact CB-CD1 3.9Å; A517-I606 HydrophobicContact CB-CG1 4.11Å; A517-I606 HydrophobicContact CB-CG2 4.49Å
518	I	94.7	Very high	94.8	Very high	36 Å²	36	33.6 Å²	33.6	19%	0.185	19%	0.187	C	C	.	.	H	α-helix	trans	-71.3	-17.6	177.9	-162.8	166.8	0	0	0	113.2	K436 K439 L440 D516 E520 Y521 A522	K436-I518 WeakPolarHBondContact O-CD1 3.13Å; K439-I518 HydrophobicContact CB-CD1 4.19Å; K439-I518 HydrophobicContact CB-CG1 4.14Å; K439-I518 HydrophobicContact CB-CG2 3.84Å; K439-I518 HydrophobicContact CD-CG2 3.54Å; K439-I518 HydrophobicContact CG-CG2 4.33Å; L440-I518 HydrophobicContact CB-CD1 3.96Å; D516-I518 HydrophobicContact CB-CG2 4.06Å; D516-I518 PolarHBondContact O-N 3.15Å; D516-I518 VanDerWaalsContact O-N 3.12Å; I518-E520 VanDerWaalsContact C-N 3.29Å; I518-E520 PolarHBondContact O-N 2.88Å; I518-Y521 PolarHBondContact O-N 3.28Å; I518-Y521 VanDerWaalsContact O-N 3.14Å; I518-A522 PolarHBondContact O-N 3.06Å
519	D	96.8	Very high	95	Very high	2 Å²	2	32 Å²	32	1%	0.011	17%	0.168	C	C	.	.	H	α-helix	trans	-61.9	-39.7	177.9	-71.7	-37.3	0	0	0	111.5	K439 Y458 M514 V515 D516 A517 Y521 A522 V523	K439-D519 WeakPolarHBondContact CD-OD1 3.47Å; K439-D519 WeakPolarHBondContact CE-OD1 3.35Å; K439-D519 IonicContact NZ-OD1 2.77Å; K439-D519 PolarHBondContact NZ-OD1 2.91Å; K439-D519 IonicContact NZ-OD2 3.85Å; K439-D519 PolarHBondContact NZ-OD2 3.38Å; Y458-D519 WeakPolarHBondContact CE1-OD1 3.26Å; Y458-D519 PolarHBondContact OH-OD1 3.12Å; M514-D519 HydrophobicContact CB-CB 3.72Å; M514-D519 HydrophobicContact CG-CB 4.14Å; M514-D519 HydrophobicContact SD-CB 4.31Å; V515-D519 PolarHBondContact N-OD2 3.28Å; V515-D519 VanDerWaalsContact N-OD2 3.1Å; D516-D519 PolarHBondContact N-OD2 3.5Å; D516-D519 VanDerWaalsContact O-CB 3.25Å; D516-D519 WeakPolarHBondContact O-CB 3.48Å; D516-D519 PolarHBondContact O-N 3.43Å; A517-D519 VanDerWaalsContact C-N 3.25Å; A517-D519 PolarHBondContact O-N 3.14Å; D519-Y521 VanDerWaalsContact C-N 3.26Å; D519-Y521 PolarHBondContact O-N 2.87Å; D519-A522 PolarHBondContact O-N 2.79Å; D519-A522 VanDerWaalsContact O-N 3.12Å; D519-V523 WeakPolarHBondContact O-CG2 3.34Å; D519-V523 PolarHBondContact O-N 2.94Å
520	E	94	Very high	95	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.056	19%	0.19	C	C	.	.	H	α-helix	trans	-59.1	-36.8	175.9	-78.9	-80	-171.3	0	0	112.1	A488 I518 Q524 S600 N602 M603 I606	A488-E520 HydrophobicContact CB-CG 4.15Å; A488-E520 WeakPolarHBondContact CB-OE1 3.22Å; I518-E520 VanDerWaalsContact C-N 3.29Å; I518-E520 PolarHBondContact O-N 2.88Å; E520-Q524 VanDerWaalsContact O-CG 3.24Å; E520-Q524 WeakPolarHBondContact O-CG 3.21Å; E520-Q524 PolarHBondContact O-N 2.64Å; E520-S600 VanDerWaalsContact CD-OG 3.29Å; E520-S600 PolarHBondContact OE1-OG 3.24Å; E520-S600 PolarHBondContact OE2-OG 2.86Å; E520-N602 VanDerWaalsContact CG-ND2 3.26Å; E520-N602 WeakPolarHBondContact CG-ND2 3.4Å; E520-N602 WeakPolarHBondContact OE1-CB 3.48Å; E520-N602 PolarHBondContact OE1-ND2 2.91Å; E520-N602 VanDerWaalsContact OE1-ND2 3.14Å; E520-M603 HydrophobicContact CB-CE 3.52Å; E520-M603 HydrophobicContact CB-SD 4.15Å; E520-I606 HydrophobicContact CB-CD1 4.21Å; E520-I606 HydrophobicContact CG-CD1 3.93Å
521	Y	93.3	Very high	94.8	Very high	43 Å²	43	39.4 Å²	39.4	17%	0.169	22%	0.222	C	C	.	.	H	α-helix	trans	-74.7	-34.7	176.1	-66.9	-89.4	0	0	0	112.6	H443 A517 I518 D519 M603 I606 M607 Q610	H443-Y521 PolarHBondContact ND1-O 3.4Å; H443-Y521 VanDerWaalsContact ND1-O 3.11Å; A517-Y521 WeakPolarHBondContact O-CD2 3.29Å; I518-Y521 PolarHBondContact O-N 3.28Å; I518-Y521 VanDerWaalsContact O-N 3.14Å; D519-Y521 VanDerWaalsContact C-N 3.26Å; D519-Y521 PolarHBondContact O-N 2.87Å; Y521-M603 HydrophobicContact CD1-CE 4.3Å; Y521-M603 HydrophobicContact CD2-CE 4.39Å; Y521-M603 HydrophobicContact CE1-CE 4.37Å; Y521-M603 HydrophobicContact CE2-CE 4.48Å; Y521-M603 HydrophobicContact CG-CE 4.32Å; Y521-I606 HydrophobicContact CE2-CG2 4.13Å; Y521-M607 HydrophobicContact CD1-CE 4.43Å; Y521-M607 HydrophobicContact CE1-CE 3.36Å; Y521-M607 VanDerWaalsContact CZ-CE 3.43Å; Y521-M607 WeakPolarHBondContact OH-CE 3.41Å; Y521-M607 PolarHBondContact OH-SD 2.88Å; Y521-Q610 PolarHBondContact OH-NE2 2.8Å
522	A	95.3	Very high	94.8	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	24%	0.236	C	C	.	.	H	α-helix	trans	-70.3	-47	179	0	0	0	0	0	111.5	K439 I442 I518 D519 Q524 Q525 L526	K439-A522 HydrophobicContact CB-CB 4.36Å; I442-A522 HydrophobicContact CB-CB 4.47Å; I442-A522 HydrophobicContact CG2-CB 4.11Å; I518-A522 PolarHBondContact O-N 3.06Å; D519-A522 PolarHBondContact O-N 2.79Å; D519-A522 VanDerWaalsContact O-N 3.12Å; A522-Q524 VanDerWaalsContact C-N 3.29Å; A522-Q524 PolarHBondContact O-N 3.5Å; A522-Q525 PolarHBondContact O-N 3.28Å; A522-Q525 VanDerWaalsContact O-N 3.09Å; A522-L526 PolarHBondContact O-N 3.22Å
523	V	94.2	Very high	94.7	Very high	16 Å²	16	47.3 Å²	47.3	10%	0.097	26%	0.261	C	S	.	.	H	α-helix	trans	-69.3	-23.7	-179.1	-63.6	0	0	0	0	114.1	F486 M514 D519 Q525	F486-V523 HydrophobicContact CE2-CB 4.34Å; F486-V523 HydrophobicContact CE2-CG1 4.32Å; F486-V523 HydrophobicContact CE2-CG2 4Å; F486-V523 HydrophobicContact CZ-CB 4.17Å; F486-V523 HydrophobicContact CZ-CG1 4.47Å; F486-V523 HydrophobicContact CZ-CG2 4.07Å; M514-V523 HydrophobicContact CE-CG1 3.42Å; M514-V523 VanDerWaalsContact CE-CG1 3.42Å; M514-V523 HydrophobicContact SD-CG1 3.29Å; M514-V523 WeakPolarHBondContact SD-CG1 3.21Å; D519-V523 WeakPolarHBondContact O-CG2 3.34Å; D519-V523 PolarHBondContact O-N 2.94Å; V523-Q525 PolarHBondContact O-N 3.37Å
524	Q	92	Very high	94.6	Very high	72 Å²	72	47.8 Å²	47.8	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-61.4	-32.9	171	-79.9	178.7	2.7	0	0	112.4	E520 A522	E520-Q524 VanDerWaalsContact O-CG 3.24Å; E520-Q524 WeakPolarHBondContact O-CG 3.21Å; E520-Q524 PolarHBondContact O-N 2.64Å; A522-Q524 VanDerWaalsContact C-N 3.29Å; A522-Q524 PolarHBondContact O-N 3.5Å
525	Q	95.1	Very high	94.5	Very high	72 Å²	72	49.8 Å²	49.8	34%	0.336	28%	0.277	S	S	.	.	H	α-helix	trans	-92.6	-32.7	178.8	-59	-57	-33.2	0	0	112.3	A522 V523 K527	A522-Q525 PolarHBondContact O-N 3.28Å; A522-Q525 VanDerWaalsContact O-N 3.09Å; V523-Q525 PolarHBondContact O-N 3.37Å; Q525-K527 VanDerWaalsContact C-N 3.33Å; Q525-K527 PolarHBondContact O-N 3.41Å; Q525-K527 VanDerWaalsContact O-N 3.07Å
526	L	95	Very high	94.5	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.058	27%	0.268	C	S	.	.			trans	-83.6	71	177.5	-170.4	64.7	0	0	0	111.5	I442 A453 L456 L470 A522 A528 L534	I442-L526 HydrophobicContact CG2-CB 4.23Å; A453-L526 HydrophobicContact CB-CD1 3.78Å; A453-L526 HydrophobicContact CB-CD2 4.24Å; L456-L526 HydrophobicContact CD1-CD2 3.84Å; L470-L526 HydrophobicContact CD1-CD2 3.97Å; A522-L526 PolarHBondContact O-N 3.22Å; L526-A528 PolarHBondContact O-N 2.9Å; L526-L534 HydrophobicContact CD2-CD2 4.03Å; L526-L534 HydrophobicContact CG-CD1 4.39Å; L526-L534 HydrophobicContact CG-CD2 4.17Å
527	K	91.3	Very high	94.5	Very high	160 Å²	160	45.6 Å²	45.6	70%	0.696	25%	0.254	S	S	*	.			trans	-66.4	-35	-178.2	-63.5	-175.3	-179.8	-179.4	0	113.6	Q525 L534	Q525-K527 VanDerWaalsContact C-N 3.33Å; Q525-K527 PolarHBondContact O-N 3.41Å; Q525-K527 VanDerWaalsContact O-N 3.07Å; K527-L534 PolarHBondContact O-N 3.18Å
528	A	94.5	Very high	94.6	Very high	44 Å²	44	44.1 Å²	44.1	36%	0.364	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	151.7	-179.5	0	0	0	0	0	110.9	L526 K532	L526-A528 PolarHBondContact O-N 2.9Å; A528-K532 CarbonylContact C-O 3.56Å; A528-K532 VanDerWaalsContact CA-O 3.23Å; A528-K532 WeakPolarHBondContact CA-O 3.3Å
529	Y	96.3	Very high	94.5	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.035	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.6	174.9	175.5	-96.6	0	0	0	108.9	A453 E454 L470 A471 V474 I484 G531 K532	A453-Y529 HydrophobicContact CB-CD2 3.84Å; A453-Y529 HydrophobicContact CB-CE2 4.07Å; E454-Y529 HydrophobicContact CG-CE2 4.46Å; E454-Y529 WeakPolarHBondContact OE1-CE2 3.32Å; E454-Y529 PolarHBondContact OE1-OH 3.43Å; E454-Y529 VanDerWaalsContact OE1-OH 3.13Å; E454-Y529 PolarHBondContact OE2-OH 2.96Å; L470-Y529 VanDerWaalsContact C-CE1 3.49Å; L470-Y529 HydrophobicContact CB-CD1 3.74Å; L470-Y529 HydrophobicContact CB-CD2 4.36Å; L470-Y529 HydrophobicContact CB-CE1 3.43Å; L470-Y529 VanDerWaalsContact CB-CE1 3.43Å; L470-Y529 HydrophobicContact CB-CE2 4.12Å; L470-Y529 HydrophobicContact CB-CG 4.17Å; L470-Y529 HydrophobicContact CD1-CD1 4.4Å; L470-Y529 HydrophobicContact CD1-CD2 4.06Å; L470-Y529 HydrophobicContact CD1-CE2 4.42Å; L470-Y529 HydrophobicContact CD1-CG 4.04Å; A471-Y529 WeakPolarHBondContact CA-OH 3.28Å; A471-Y529 WeakPolarHBondContact CB-OH 3.46Å; A471-Y529 PolarHBondContact N-OH 3.4Å; V474-Y529 HydrophobicContact CG2-CD1 3.91Å; V474-Y529 HydrophobicContact CG2-CE1 3.92Å; I484-Y529 HydrophobicContact CD1-CD1 3.99Å; Y529-G531 PolarHBondContact O-N 2.94Å; Y529-G531 VanDerWaalsContact O-N 3.13Å; Y529-K532 PolarHBondContact N-O 3.16Å; Y529-K532 WeakPolarHBondContact O-CB 3.33Å; Y529-K532 PolarHBondContact O-N 3.4Å
530	Q	93.8	Very high	94.2	Very high	108 Å²	108	48 Å²	48	51%	0.505	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	39.5	-174.4	-61.2	-177.1	-1.6	0	0	113.7	E454 K532	E454-Q530 PolarHBondContact OE1-NE2 3.25Å; E454-Q530 VanDerWaalsContact OE1-NE2 3.17Å; Q530-K532 PolarHBondContact O-N 2.55Å
531	G	92.9	Very high	93.9	Very high	72 Å²	72	50 Å²	50	74%	0.742	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	-0.8	-178.7	0	0	0	0	0	115.4	Y529	Y529-G531 PolarHBondContact O-N 2.94Å; Y529-G531 VanDerWaalsContact O-N 3.13Å
532	K	95.2	Very high	93.7	Very high	69 Å²	69	48.1 Å²	48.1	30%	0.3	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.3	176.4	-54.5	-64.3	-176.8	169.1	0	109.7	M477 T482 I484 A528 Y529 Q530	M477-K532 HydrophobicContact CE-CD 4.01Å; M477-K532 HydrophobicContact CE-CG 4.16Å; M477-K532 HydrophobicContact SD-CG 4.14Å; T482-K532 WeakPolarHBondContact O-CD 3.24Å; I484-K532 HydrophobicContact CD1-CB 4.28Å; I484-K532 HydrophobicContact CG1-CB 4.09Å; A528-K532 CarbonylContact C-O 3.56Å; A528-K532 VanDerWaalsContact CA-O 3.23Å; A528-K532 WeakPolarHBondContact CA-O 3.3Å; Y529-K532 PolarHBondContact N-O 3.16Å; Y529-K532 WeakPolarHBondContact O-CB 3.33Å; Y529-K532 PolarHBondContact O-N 3.4Å; Q530-K532 PolarHBondContact O-N 2.55Å
533	N	95.7	Very high	93.3	Very high	100 Å²	100	55.9 Å²	55.9	54%	0.535	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	143	177.4	-67.4	-25.2	0	0	0	110.7	C483 I484	C483-N533 CarbonylContact C-O 3.5Å; C483-N533 VanDerWaalsContact CA-O 3.31Å; C483-N533 WeakPolarHBondContact CA-O 3.5Å; C483-N533 VanDerWaalsContact CB-O 3.23Å; C483-N533 WeakPolarHBondContact CB-O 3.34Å; I484-N533 PolarHBondContact N-O 2.93Å
534	L	95.9	Very high	92.9	Very high	23 Å²	23	55.3 Å²	55.3	12%	0.12	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.2	171.4	-76.3	75.1	0	0	0	108.7	I484 F486 L526 K527	I484-L534 HydrophobicContact CB-CG 4.29Å; I484-L534 HydrophobicContact CD1-CD1 4.35Å; I484-L534 HydrophobicContact CG2-CG 4.49Å; F486-L534 HydrophobicContact CD1-CB 4.01Å; F486-L534 HydrophobicContact CE1-CB 3.86Å; L526-L534 HydrophobicContact CD2-CD2 4.03Å; L526-L534 HydrophobicContact CG-CD1 4.39Å; L526-L534 HydrophobicContact CG-CD2 4.17Å; K527-L534 PolarHBondContact O-N 3.18Å
535	V	95	Very high	92.7	Very high	45 Å²	45	53.6 Å²	53.6	27%	0.273	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	120.7	-176.5	177.8	0	0	0	0	109.8	C483 I484 Y485 F486 L542	C483-V535 HydrophobicContact CB-CB 4.44Å; C483-V535 HydrophobicContact CB-CG2 3.71Å; I484-V535 PolarHBondContact O-N 2.94Å; Y485-V535 WeakPolarHBondContact CA-O 3.27Å; Y485-V535 HydrophobicContact CD1-CB 4.49Å; F486-V535 WeakPolarHBondContact CD1-O 3.33Å; F486-V535 VanDerWaalsContact CE1-C 3.45Å; F486-V535 PolarHBondContact N-O 3.02Å; V535-L542 HydrophobicContact CG1-CD1 4.1Å
536	S	95.2	Very high	92	Very high	13 Å²	13	53 Å²	53	9%	0.091	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.4	173.7	-179.6	0	0	0	0	110.3	F486 T538 R539	F486-S536 VanDerWaalsContact CE1-N 3.32Å; F486-S536 WeakPolarHBondContact O-CA 3.46Å; S536-T538 PolarHBondContact O-N 3.34Å; S536-T538 PolarHBondContact OG-N 3.18Å; S536-T538 PolarHBondContact OG-OG1 3.38Å; S536-R539 PolarHBondContact O-N 2.9Å
537	V	95.3	Very high	91.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-3	173.9	-57.1	0	0	0	0	113.2	Y485 F486 I487 F500 V501 V504 L542 R584	Y485-V537 HydrophobicContact CD1-CG1 4.33Å; F486-V537 WeakPolarHBondContact O-CG2 3.05Å; F486-V537 PolarHBondContact O-N 3.1Å; I487-V537 HydrophobicContact CB-CG2 3.7Å; I487-V537 HydrophobicContact CD1-CG2 4.17Å; I487-V537 HydrophobicContact CG1-CG2 4.19Å; F500-V537 HydrophobicContact CB-CB 4.29Å; F500-V537 HydrophobicContact CB-CG2 3.76Å; F500-V537 WeakPolarHBondContact CD1-O 3.27Å; V501-V537 HydrophobicContact CG1-CG2 4.12Å; V504-V537 HydrophobicContact CG2-CG1 4.07Å; V537-L542 HydrophobicContact CB-CD2 4.07Å; V537-L542 HydrophobicContact CG1-CD1 4.2Å; V537-L542 HydrophobicContact CG1-CD2 4.19Å; V537-R584 PolarHBondContact O-NH1 3.26Å
538	T	94.5	Very high	91.3	Very high	19 Å²	19	56.3 Å²	56.3	12%	0.117	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-7.9	178.8	69.9	0	0	0	0	113.9	I487 F500 S536 T594	I487-T538 HydrophobicContact CD1-CG2 4.19Å; I487-T538 HydrophobicContact CG1-CG2 3.9Å; F500-T538 HydrophobicContact CD2-CG2 3.74Å; F500-T538 HydrophobicContact CE2-CG2 4.1Å; F500-T538 HydrophobicContact CG-CG2 4.2Å; S536-T538 PolarHBondContact O-N 3.34Å; S536-T538 PolarHBondContact OG-N 3.18Å; S536-T538 PolarHBondContact OG-OG1 3.38Å; T538-T594 PolarHBondContact O-N 3.3Å; T538-T594 VanDerWaalsContact O-N 3.12Å; T538-T594 PolarHBondContact O-OG1 3.11Å
539	R	92.6	Very high	91	Very high	66 Å²	66	60.4 Å²	60.4	25%	0.249	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-91.7	154.5	176.1	-68.6	-172.1	-175.3	-114.8	-11.6	111.2	S536 R584 T594 Q596 G598	S536-R539 PolarHBondContact O-N 2.9Å; R539-R584 PolarHBondContact O-NH1 3Å; R539-R584 PolarHBondContact O-NH2 3.02Å; R539-T594 CarbonylContact C-O 3.48Å; R539-T594 WeakPolarHBondContact CA-O 3.25Å; R539-Q596 PolarHBondContact NH1-O 3.23Å; R539-G598 PolarHBondContact NH1-O 2.91Å; R539-G598 PolarHBondContact NH2-O 3.2Å
540	E	91.8	Very high	90.5	Very high	54 Å²	54	61.8 Å²	61.8	25%	0.252	35%	0.345	S	S	.	.	S	Bend	trans	-60.6	159	172.2	71.4	174.7	153.1	0	0	111.7	V593 T594 G595 Q596 H626	E540-V593 HydrophobicContact CB-CG2 3.99Å; E540-T594 PolarHBondContact N-O 3.48Å; E540-G595 WeakPolarHBondContact OE1-CA 3.43Å; E540-Q596 HydrophobicContact CG-CG 3.63Å; E540-Q596 PolarHBondContact OE1-N 3.13Å; E540-H626 IonicContact OE1-NE2 3.04Å; E540-H626 IonicContact OE2-CD2 3.05Å; E540-H626 IonicContact OE2-NE2 3.75Å; E540-H626 PolarHBondContact OE2-NE2 2.65Å
541	G	86.5	Confident	90.1	Very high	52 Å²	52	60.9 Å²	60.9	54%	0.536	34%	0.339	S	S	.	.			trans	73.1	30.2	176.8	0	0	0	0	0	114.3	E543	G541-E543 PolarHBondContact O-N 3.02Å
542	L	90	Very high	90	Very high	4 Å²	4	63.7 Å²	63.7	2%	0.021	33%	0.331	C	S	.	.			trans	-67.3	102.9	173.1	-179.8	65.3	0	0	0	110	Y485 V504 V535 V537 L544 N583 R584	Y485-L542 HydrophobicContact CD1-CD1 3.82Å; Y485-L542 HydrophobicContact CE1-CD1 3.71Å; V504-L542 HydrophobicContact CG2-CD2 4.16Å; V535-L542 HydrophobicContact CG1-CD1 4.1Å; V537-L542 HydrophobicContact CB-CD2 4.07Å; V537-L542 HydrophobicContact CG1-CD1 4.2Å; V537-L542 HydrophobicContact CG1-CD2 4.19Å; L542-L544 HydrophobicContact CD1-CD2 4.23Å; L542-L544 HydrophobicContact CD2-CD1 4.41Å; L542-L544 HydrophobicContact CD2-CD2 4.29Å; L542-L544 HydrophobicContact CD2-CG 4.28Å; L542-L544 HydrophobicContact CG-CD2 4.13Å; L542-L544 HydrophobicContact CG-CG 4.11Å; L542-N583 PolarHBondContact O-ND2 2.92Å; L542-R584 VanDerWaalsContact CB-CZ 3.43Å; L542-R584 HydrophobicContact CD2-CB 3.99Å
543	E	86.3	Confident	89.8	Confident	164 Å²	164	64.6 Å²	64.6	77%	0.766	34%	0.335	S	S	*	.			trans	-86.9	109.8	172.9	-66.9	-174.1	176.1	0	0	109.9	Y485 G541	Y485-E543 PolarHBondContact OH-O 3.13Å; G541-E543 PolarHBondContact O-N 3.02Å
544	L	86.9	Confident	89.4	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.026	32%	0.318	C	S	.	.			trans	-102.1	133.4	169.6	-62.6	178.3	0	0	0	108	Y485 A503 V504 R507 F509 L542 E546	Y485-L544 HydrophobicContact CD1-CD2 4.42Å; Y485-L544 HydrophobicContact CE1-CD2 3.77Å; Y485-L544 HydrophobicContact CE2-CD2 4.19Å; A503-L544 HydrophobicContact CB-CD1 4.1Å; V504-L544 HydrophobicContact CG1-CD2 4.36Å; V504-L544 HydrophobicContact CG2-CD1 4.06Å; V504-L544 HydrophobicContact CG2-CD2 4.07Å; R507-L544 VanDerWaalsContact NH1-CB 3.26Å; R507-L544 PolarHBondContact NH1-O 3.32Å; F509-L544 HydrophobicContact CD2-CD2 4.39Å; L542-L544 HydrophobicContact CD1-CD2 4.23Å; L542-L544 HydrophobicContact CD2-CD1 4.41Å; L542-L544 HydrophobicContact CD2-CD2 4.29Å; L542-L544 HydrophobicContact CD2-CG 4.28Å; L542-L544 HydrophobicContact CG-CD2 4.13Å; L542-L544 HydrophobicContact CG-CG 4.11Å; L544-E546 PolarHBondContact O-N 3.41Å
545	P	86.1	Confident	89.1	Confident	36 Å²	36	65.5 Å²	65.5	23%	0.234	33%	0.333	C	S	.	.			trans	-50.9	127.7	173	-26.2	32.1	0	0	0	110.9	N480 Y485 R507 F509	N480-P545 HydrophobicContact CB-CB 4.35Å; N480-P545 VanDerWaalsContact ND2-CB 3.29Å; N480-P545 WeakPolarHBondContact ND2-CB 3.12Å; N480-P545 VanDerWaalsContact O-CG 3.23Å; N480-P545 WeakPolarHBondContact O-CG 3.43Å; Y485-P545 WeakPolarHBondContact OH-CD 3.29Å; R507-P545 PolarHBondContact NH1-O 3.29Å; F509-P545 HydrophobicContact CE1-CG 4.13Å; F509-P545 HydrophobicContact CE2-CB 4.39Å; F509-P545 HydrophobicContact CE2-CG 4.16Å; F509-P545 HydrophobicContact CZ-CB 3.8Å; F509-P545 HydrophobicContact CZ-CG 3.5Å; F509-P545 VanDerWaalsContact CZ-CG 3.5Å
546	E	81.9	Confident	89	Confident	60 Å²	60	68.7 Å²	68.7	28%	0.28	35%	0.345	S	S	.	.			trans	-135.1	150.3	-176.5	51.4	-164.5	-168.9	0	0	109.9	R507 L544 A550 K551 R554	R507-E546 IonicContact NH1-OE2 2.56Å; R507-E546 IonicContact NH2-OE2 2.61Å; L544-E546 PolarHBondContact O-N 3.41Å; E546-A550 HydrophobicContact CB-CB 4.32Å; E546-K551 HydrophobicContact CG-CB 4.39Å; E546-R554 VanDerWaalsContact CD-NH1 3.28Å; E546-R554 IonicContact OE1-CZ 2.68Å; E546-R554 IonicContact OE1-NH1 3.75Å; E546-R554 PolarHBondContact OE1-NH1 2.8Å; E546-R554 IonicContact OE1-NH2 3.65Å; E546-R554 PolarHBondContact OE1-NH2 3.37Å; E546-R554 IonicContact OE2-CZ 2.65Å; E546-R554 IonicContact OE2-NH1 2.75Å; E546-R554 PolarHBondContact OE2-NH1 2.96Å
547	D	83.6	Confident	88.9	Confident	102 Å²	102	68.9 Å²	68.9	55%	0.545	35%	0.345	S	S	.	.			trans	-76.4	163.7	168.9	57.1	43.4	0	0	0	111	D549 A550 K551	D547-D549 PolarHBondContact O-N 3.49Å; D547-D549 PolarHBondContact OD1-N 2.8Å; D547-A550 PolarHBondContact O-N 2.69Å; D547-A550 WeakPolarHBondContact OD1-CB 3.41Å; D547-A550 PolarHBondContact OD1-N 3.33Å; D547-K551 WeakPolarHBondContact O-CB 3.44Å; D547-K551 PolarHBondContact O-N 2.98Å
548	E	87.2	Confident	88.8	Confident	137 Å²	137	72.8 Å²	72.8	64%	0.64	36%	0.362	S	S	*	.	H	α-helix	trans	-62.9	-29.7	-178.5	-74	-64.3	145.7	0	0	112.4	K551 K552	E548-K551 PolarHBondContact O-N 2.59Å; E548-K552 WeakPolarHBondContact O-CB 3.44Å; E548-K552 PolarHBondContact O-N 2.78Å
549	D	88.3	Confident	88.7	Confident	130 Å²	130	75.1 Å²	75.1	70%	0.695	38%	0.384	S	S	*	.	H	α-helix	trans	-70.1	-43.8	178.1	-72.4	-30.6	0	0	0	111.8	D547 K551 K552 K553	D547-D549 PolarHBondContact O-N 3.49Å; D547-D549 PolarHBondContact OD1-N 2.8Å; D549-K551 VanDerWaalsContact C-N 3.33Å; D549-K552 PolarHBondContact O-N 3.35Å; D549-K553 WeakPolarHBondContact O-CB 3.33Å; D549-K553 PolarHBondContact O-N 3.1Å
550	A	85.5	Confident	88.7	Confident	38 Å²	38	76.4 Å²	76.4	31%	0.314	39%	0.391	S	S	.	.	H	α-helix	trans	-65.5	-38.5	174.7	0	0	0	0	0	111.3	E546 D547 K553 R554	E546-A550 HydrophobicContact CB-CB 4.32Å; D547-A550 PolarHBondContact O-N 2.69Å; D547-A550 WeakPolarHBondContact OD1-CB 3.41Å; D547-A550 PolarHBondContact OD1-N 3.33Å; A550-K553 PolarHBondContact O-N 3.35Å; A550-R554 WeakPolarHBondContact O-CB 3.44Å; A550-R554 PolarHBondContact O-N 3.43Å
551	K	86.1	Confident	88.8	Confident	90 Å²	90	74.3 Å²	74.3	39%	0.391	38%	0.381	S	S	.	.	H	α-helix	trans	-62.3	-44.7	174.1	-171	178.2	-179.2	-176.7	0	111.2	E546 D547 E548 D549 R554 E555	E546-K551 HydrophobicContact CG-CB 4.39Å; D547-K551 WeakPolarHBondContact O-CB 3.44Å; D547-K551 PolarHBondContact O-N 2.98Å; E548-K551 PolarHBondContact O-N 2.59Å; D549-K551 VanDerWaalsContact C-N 3.33Å; K551-R554 PolarHBondContact O-N 3.24Å; K551-E555 PolarHBondContact O-N 2.81Å; K551-E555 VanDerWaalsContact O-N 3.15Å
552	K	91	Very high	89.2	Confident	131 Å²	131	76.5 Å²	76.5	57%	0.57	38%	0.377	S	S	*	.	H	α-helix	trans	-63.5	-47.4	175.8	-173.8	-177.4	174.8	-168.9	0	111.9	E548 D549 R554 E555 E556	E548-K552 WeakPolarHBondContact O-CB 3.44Å; E548-K552 PolarHBondContact O-N 2.78Å; D549-K552 PolarHBondContact O-N 3.35Å; K552-R554 PolarHBondContact O-N 3.18Å; K552-E555 PolarHBondContact O-N 3.19Å; K552-E555 VanDerWaalsContact O-N 3.14Å; K552-E556 VanDerWaalsContact CE-OE1 3.27Å; K552-E556 WeakPolarHBondContact CE-OE1 3.37Å; K552-E556 PolarHBondContact O-N 3.06Å
553	K	90.7	Very high	89.2	Confident	88 Å²	88	81.1 Å²	81.1	38%	0.383	40%	0.399	S	S	.	.	H	α-helix	trans	-54.6	-43.1	175	-173.3	-169	172.7	-165.7	0	110.8	D549 A550 E555 E556 D557 D632	D549-K553 WeakPolarHBondContact O-CB 3.33Å; D549-K553 PolarHBondContact O-N 3.1Å; A550-K553 PolarHBondContact O-N 3.35Å; K553-E555 PolarHBondContact O-N 3.44Å; K553-E556 PolarHBondContact O-N 3.44Å; K553-D557 WeakPolarHBondContact CE-OD2 3.23Å; K553-D557 WeakPolarHBondContact O-CB 3.23Å; K553-D557 PolarHBondContact O-N 3.4Å; K553-D632 VanDerWaalsContact NZ-CG 3.28Å; K553-D632 IonicContact NZ-OD1 3.08Å; K553-D632 PolarHBondContact NZ-OD1 3.12Å; K553-D632 IonicContact NZ-OD2 3.82Å; K553-D632 PolarHBondContact NZ-OD2 3.41Å
554	R	86.2	Confident	89.6	Confident	48 Å²	48	73.5 Å²	73.5	18%	0.181	36%	0.363	C	S	.	.	H	α-helix	trans	-62.9	-42	178.7	-173.9	-175.8	65.6	-155.2	-11.5	112.7	E546 A550 K551 K552 E556 D557 K558	E546-R554 VanDerWaalsContact CD-NH1 3.28Å; E546-R554 IonicContact OE1-CZ 2.68Å; E546-R554 IonicContact OE1-NH1 3.75Å; E546-R554 PolarHBondContact OE1-NH1 2.8Å; E546-R554 IonicContact OE1-NH2 3.65Å; E546-R554 PolarHBondContact OE1-NH2 3.37Å; E546-R554 IonicContact OE2-CZ 2.65Å; E546-R554 IonicContact OE2-NH1 2.75Å; E546-R554 PolarHBondContact OE2-NH1 2.96Å; A550-R554 WeakPolarHBondContact O-CB 3.44Å; A550-R554 PolarHBondContact O-N 3.43Å; K551-R554 PolarHBondContact O-N 3.24Å; K552-R554 PolarHBondContact O-N 3.18Å; R554-E556 VanDerWaalsContact C-N 3.34Å; R554-D557 PolarHBondContact O-N 3.43Å; R554-K558 WeakPolarHBondContact O-CB 3.48Å; R554-K558 VanDerWaalsContact O-CG 3.29Å; R554-K558 WeakPolarHBondContact O-CG 3.3Å; R554-K558 PolarHBondContact O-N 3.28Å
555	E	90	Very high	89.9	Confident	93 Å²	93	74 Å²	74	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-67.5	-36.6	176.8	-63.4	-50.3	128.8	0	0	111.8	K551 K552 K553 K558 A559	K551-E555 PolarHBondContact O-N 2.81Å; K551-E555 VanDerWaalsContact O-N 3.15Å; K552-E555 PolarHBondContact O-N 3.19Å; K552-E555 VanDerWaalsContact O-N 3.14Å; K553-E555 PolarHBondContact O-N 3.44Å; E555-K558 PolarHBondContact O-N 2.6Å; E555-K558 IonicContact OE1-NZ 3.17Å; E555-K558 PolarHBondContact OE1-NZ 3.17Å; E555-K558 IonicContact OE2-NZ 2.68Å; E555-A559 PolarHBondContact O-N 3.23Å; E555-A559 VanDerWaalsContact O-N 3.14Å
556	E	93.4	Very high	90.2	Very high	112 Å²	112	77.8 Å²	77.8	52%	0.523	38%	0.379	S	S	.	.	H	α-helix	trans	-63.9	-44.7	172	-69.6	175.6	-175.1	0	0	111.8	K552 K553 R554 A559 K560	K552-E556 VanDerWaalsContact CE-OE1 3.27Å; K552-E556 WeakPolarHBondContact CE-OE1 3.37Å; K552-E556 PolarHBondContact O-N 3.06Å; K553-E556 PolarHBondContact O-N 3.44Å; R554-E556 VanDerWaalsContact C-N 3.34Å; E556-A559 PolarHBondContact O-N 3.07Å; E556-K560 VanDerWaalsContact O-CB 3.24Å; E556-K560 WeakPolarHBondContact O-CB 3.45Å; E556-K560 PolarHBondContact O-N 2.81Å
557	D	93.2	Very high	90.7	Very high	17 Å²	17	75.8 Å²	75.8	9%	0.091	37%	0.371	C	S	.	.	H	α-helix	trans	-65.3	-40.4	176.7	-77	-31.9	0	0	0	111.5	K553 R554 A559 K560 Y561 V581 P631	K553-D557 WeakPolarHBondContact CE-OD2 3.23Å; K553-D557 WeakPolarHBondContact O-CB 3.23Å; K553-D557 PolarHBondContact O-N 3.4Å; R554-D557 PolarHBondContact O-N 3.43Å; D557-A559 VanDerWaalsContact C-N 3.32Å; D557-A559 PolarHBondContact O-N 3.47Å; D557-K560 PolarHBondContact O-N 2.91Å; D557-Y561 HydrophobicContact CB-CD2 4.44Å; D557-Y561 VanDerWaalsContact O-CD2 3.28Å; D557-Y561 WeakPolarHBondContact O-CD2 3.45Å; D557-Y561 PolarHBondContact O-N 2.95Å; D557-V581 HydrophobicContact CB-CG1 4.25Å; D557-P631 HydrophobicContact CB-CB 4.06Å; D557-P631 HydrophobicContact CB-CG 4.09Å
558	K	92.6	Very high	91.2	Very high	83 Å²	83	71.1 Å²	71.1	36%	0.361	35%	0.346	S	S	.	.	H	α-helix	trans	-55.9	-46.5	173.4	-79.6	173.3	-178.1	173	0	111.8	R554 E555 E562 V581	R554-K558 WeakPolarHBondContact O-CB 3.48Å; R554-K558 VanDerWaalsContact O-CG 3.29Å; R554-K558 WeakPolarHBondContact O-CG 3.3Å; R554-K558 PolarHBondContact O-N 3.28Å; E555-K558 PolarHBondContact O-N 2.6Å; E555-K558 IonicContact OE1-NZ 3.17Å; E555-K558 PolarHBondContact OE1-NZ 3.17Å; E555-K558 IonicContact OE2-NZ 2.68Å; K558-E562 WeakPolarHBondContact O-CB 3.35Å; K558-E562 PolarHBondContact O-N 2.75Å; K558-V581 HydrophobicContact CG-CB 4.07Å; K558-V581 HydrophobicContact CG-CG2 4.37Å
559	A	93	Very high	91.5	Very high	68 Å²	68	67.3 Å²	67.3	56%	0.562	33%	0.328	S	S	*	.	H	α-helix	trans	-66.6	-43.3	176.8	0	0	0	0	0	111.7	E555 E556 D557 Y561 E562	E555-A559 PolarHBondContact O-N 3.23Å; E555-A559 VanDerWaalsContact O-N 3.14Å; E556-A559 PolarHBondContact O-N 3.07Å; D557-A559 VanDerWaalsContact C-N 3.32Å; D557-A559 PolarHBondContact O-N 3.47Å; A559-Y561 VanDerWaalsContact C-N 3.31Å; A559-Y561 PolarHBondContact O-N 2.8Å; A559-E562 PolarHBondContact O-N 3.29Å
560	K	93.1	Very high	91.7	Very high	93 Å²	93	67 Å²	67	40%	0.404	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-36.8	-179	-177	-178.1	170.7	-166.1	0	112.9	E556 D557 R640	E556-K560 VanDerWaalsContact O-CB 3.24Å; E556-K560 WeakPolarHBondContact O-CB 3.45Å; E556-K560 PolarHBondContact O-N 2.81Å; D557-K560 PolarHBondContact O-N 2.91Å; K560-R640 VanDerWaalsContact CG-NH2 3.32Å; K560-R640 PolarHBondContact O-NE 2.97Å; K560-R640 PolarHBondContact O-NH2 2.97Å
561	Y	94.3	Very high	92	Very high	10 Å²	10	67 Å²	67	4%	0.039	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	6.8	-176.6	-68.9	-92.2	0	0	0	113.7	D557 A559 E563 L564 C565 P631 I636 R640	D557-Y561 HydrophobicContact CB-CD2 4.44Å; D557-Y561 VanDerWaalsContact O-CD2 3.28Å; D557-Y561 WeakPolarHBondContact O-CD2 3.45Å; D557-Y561 PolarHBondContact O-N 2.95Å; A559-Y561 VanDerWaalsContact C-N 3.31Å; A559-Y561 PolarHBondContact O-N 2.8Å; Y561-E563 VanDerWaalsContact C-N 3.32Å; Y561-E563 PolarHBondContact O-N 2.86Å; Y561-L564 HydrophobicContact CD1-CD2 3.75Å; Y561-L564 HydrophobicContact CE1-CD2 4.39Å; Y561-L564 WeakPolarHBondContact O-CB 3.39Å; Y561-L564 PolarHBondContact O-N 3Å; Y561-L564 VanDerWaalsContact O-N 3.15Å; Y561-C565 PolarHBondContact O-N 3.04Å; Y561-C565 PolarHBondContact O-SG 3.12Å; Y561-C565 VanDerWaalsContact O-SG 3.4Å; Y561-P631 HydrophobicContact CD2-CB 3.8Å; Y561-P631 HydrophobicContact CE2-CB 3.44Å; Y561-P631 VanDerWaalsContact CE2-CB 3.44Å; Y561-P631 PolarHBondContact OH-O 3.28Å; Y561-I636 HydrophobicContact CD1-CG2 4.01Å; Y561-I636 HydrophobicContact CE1-CG2 3.77Å; Y561-R640 HydrophobicContact CD1-CB 4.36Å; Y561-R640 HydrophobicContact CD1-CG 4.47Å; Y561-R640 HydrophobicContact CE1-CB 4.15Å; Y561-R640 HydrophobicContact CE1-CG 4.47Å
562	E	93	Very high	92.2	Very high	98 Å²	98	62.8 Å²	62.8	46%	0.458	30%	0.302	S	S	.	.	H	α-helix	trans	-56.6	-44.3	-178.4	-168.7	-172.3	159.3	0	0	112.4	K558 A559 C565 K566	K558-E562 WeakPolarHBondContact O-CB 3.35Å; K558-E562 PolarHBondContact O-N 2.75Å; A559-E562 PolarHBondContact O-N 3.29Å; E562-C565 PolarHBondContact O-N 3.23Å; E562-K566 WeakPolarHBondContact O-CG 3.32Å; E562-K566 PolarHBondContact O-N 3.03Å; E562-K566 VanDerWaalsContact OE1-CE 3.26Å; E562-K566 WeakPolarHBondContact OE1-CE 3.25Å; E562-K566 IonicContact OE1-NZ 3.35Å; E562-K566 PolarHBondContact OE1-NZ 3.31Å
563	E	91.9	Very high	92	Very high	101 Å²	101	60.7 Å²	60.7	47%	0.472	30%	0.297	S	S	.	.	H	α-helix	trans	-65.7	-40	178.4	-174.8	169.8	-155.7	0	0	112.2	Y561 K566 V567 K647	Y561-E563 VanDerWaalsContact C-N 3.32Å; Y561-E563 PolarHBondContact O-N 2.86Å; E563-K566 PolarHBondContact O-N 3.24Å; E563-V567 WeakPolarHBondContact O-CG2 3.33Å; E563-V567 PolarHBondContact O-N 3.46Å; E563-K647 WeakPolarHBondContact OE1-CE 3.41Å; E563-K647 IonicContact OE1-NZ 3.59Å; E563-K647 PolarHBondContact OE1-NZ 2.89Å
564	L	92.8	Very high	91.8	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.021	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-46.8	174.3	175.3	64	0	0	0	110.6	Y561 K566 V567 I568 I629 I636 L639 R640 I643	Y561-L564 HydrophobicContact CD1-CD2 3.75Å; Y561-L564 HydrophobicContact CE1-CD2 4.39Å; Y561-L564 WeakPolarHBondContact O-CB 3.39Å; Y561-L564 PolarHBondContact O-N 3Å; Y561-L564 VanDerWaalsContact O-N 3.15Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.39Å; L564-V567 PolarHBondContact O-N 3.08Å; L564-I568 HydrophobicContact CD1-CD1 3.72Å; L564-I568 HydrophobicContact CD1-CG1 3.98Å; L564-I568 HydrophobicContact CD2-CD1 4.28Å; L564-I568 HydrophobicContact CG-CD1 3.7Å; L564-I568 HydrophobicContact CG-CG1 4.32Å; L564-I568 VanDerWaalsContact O-CG1 3.3Å; L564-I568 WeakPolarHBondContact O-CG1 3.4Å; L564-I568 PolarHBondContact O-N 3.32Å; L564-I629 HydrophobicContact CD2-CD1 3.94Å; L564-I629 HydrophobicContact CG-CD1 4.46Å; L564-I636 HydrophobicContact CD2-CG2 3.77Å; L564-L639 HydrophobicContact CD1-CB 4.19Å; L564-R640 HydrophobicContact CD2-CB 4.26Å; L564-I643 HydrophobicContact CD1-CD1 3.22Å; L564-I643 HydrophobicContact CD1-CG1 4.48Å
565	C	93.8	Very high	91.9	Very high	14 Å²	14	65.7 Å²	65.7	10%	0.095	33%	0.327	C	S	.	.	H	α-helix	trans	-59.1	-41.6	178.5	-70.1	0	0	0	0	112	Y561 E562 K569 V579 I629	Y561-C565 PolarHBondContact O-N 3.04Å; Y561-C565 PolarHBondContact O-SG 3.12Å; Y561-C565 VanDerWaalsContact O-SG 3.4Å; E562-C565 PolarHBondContact O-N 3.23Å; C565-K569 WeakPolarHBondContact O-CB 3.31Å; C565-K569 PolarHBondContact O-N 3.03Å; C565-V579 HydrophobicContact CB-CB 4.22Å; C565-V579 HydrophobicContact CB-CG1 4.06Å; C565-I629 VanDerWaalsContact SG-CD1 3.58Å
566	K	93.2	Very high	92	Very high	116 Å²	116	61.5 Å²	61.5	50%	0.504	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-49.2	176	-72.2	175.2	-174.6	167.8	0	111.5	E562 E563 L564 I568 K569 D570	E562-K566 WeakPolarHBondContact O-CG 3.32Å; E562-K566 PolarHBondContact O-N 3.03Å; E562-K566 VanDerWaalsContact OE1-CE 3.26Å; E562-K566 WeakPolarHBondContact OE1-CE 3.25Å; E562-K566 IonicContact OE1-NZ 3.35Å; E562-K566 PolarHBondContact OE1-NZ 3.31Å; E563-K566 PolarHBondContact O-N 3.24Å; L564-K566 VanDerWaalsContact C-N 3.31Å; L564-K566 PolarHBondContact O-N 3.39Å; K566-I568 PolarHBondContact O-N 2.95Å; K566-K569 WeakPolarHBondContact O-CB 3.24Å; K566-K569 PolarHBondContact O-N 3.34Å; K566-K569 VanDerWaalsContact O-N 3.12Å; K566-D570 VanDerWaalsContact O-CG 3.27Å; K566-D570 PolarHBondContact O-N 2.95Å
567	V	92	Very high	91.9	Very high	19 Å²	19	60.5 Å²	60.5	12%	0.115	30%	0.303	C	S	.	.	H	α-helix	trans	-62.9	-41.2	179.1	175.5	0	0	0	0	111.7	E563 L564 K569 D570 I571 I643	E563-V567 WeakPolarHBondContact O-CG2 3.33Å; E563-V567 PolarHBondContact O-N 3.46Å; L564-V567 PolarHBondContact O-N 3.08Å; V567-K569 VanDerWaalsContact C-N 3.33Å; V567-K569 PolarHBondContact O-N 2.91Å; V567-D570 PolarHBondContact O-N 3.29Å; V567-I571 HydrophobicContact CG1-CD1 3.88Å; V567-I571 HydrophobicContact CG1-CG1 4.48Å; V567-I571 VanDerWaalsContact O-CG1 3.27Å; V567-I571 WeakPolarHBondContact O-CG1 3.49Å; V567-I571 PolarHBondContact O-N 2.95Å; V567-I643 HydrophobicContact CB-CD1 4.15Å; V567-I643 HydrophobicContact CB-CG2 4.27Å; V567-I643 HydrophobicContact CG1-CD1 3.78Å; V567-I643 HydrophobicContact CG1-CG1 4.34Å; V567-I643 HydrophobicContact CG1-CG2 4.23Å; V567-I643 HydrophobicContact CG2-CG2 3.88Å
568	I	93.2	Very high	91.9	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-63.2	-41.4	174.8	-67.2	171.6	0	0	0	110.8	L564 K566 D570 I571 L572 V579 L627 I629 V656	L564-I568 HydrophobicContact CD1-CD1 3.72Å; L564-I568 HydrophobicContact CD1-CG1 3.98Å; L564-I568 HydrophobicContact CD2-CD1 4.28Å; L564-I568 HydrophobicContact CG-CD1 3.7Å; L564-I568 HydrophobicContact CG-CG1 4.32Å; L564-I568 VanDerWaalsContact O-CG1 3.3Å; L564-I568 WeakPolarHBondContact O-CG1 3.4Å; L564-I568 PolarHBondContact O-N 3.32Å; K566-I568 PolarHBondContact O-N 2.95Å; I568-D570 VanDerWaalsContact C-N 3.29Å; I568-D570 PolarHBondContact O-N 3.42Å; I568-I571 PolarHBondContact O-N 3.35Å; I568-L572 HydrophobicContact CG2-CD1 3.65Å; I568-L572 HydrophobicContact CG2-CG 4.2Å; I568-L572 WeakPolarHBondContact O-CB 3.39Å; I568-L572 WeakPolarHBondContact O-CG 3.43Å; I568-L572 PolarHBondContact O-N 2.99Å; I568-V579 HydrophobicContact CB-CG1 4.2Å; I568-V579 HydrophobicContact CB-CG2 4.41Å; I568-V579 HydrophobicContact CG2-CG1 4.03Å; I568-V579 HydrophobicContact CG2-CG2 3.94Å; I568-L627 HydrophobicContact CG2-CD2 3.61Å; I568-I629 HydrophobicContact CD1-CG2 4.4Å; I568-V656 HydrophobicContact CB-CG1 4.34Å; I568-V656 HydrophobicContact CG1-CG1 4.15Å; I568-V656 HydrophobicContact CG1-CG2 4.15Å; I568-V656 HydrophobicContact CG2-CG1 3.82Å
569	K	94.1	Very high	92	Very high	56 Å²	56	61.6 Å²	61.6	24%	0.243	31%	0.308	C	S	.	.	H	α-helix	trans	-62.1	-38.1	176.9	179.2	64.7	-173.5	93	0	111.7	C565 K566 V567 D573 V576 E577 V579	C565-K569 WeakPolarHBondContact O-CB 3.31Å; C565-K569 PolarHBondContact O-N 3.03Å; K566-K569 WeakPolarHBondContact O-CB 3.24Å; K566-K569 PolarHBondContact O-N 3.34Å; K566-K569 VanDerWaalsContact O-N 3.12Å; V567-K569 VanDerWaalsContact C-N 3.33Å; V567-K569 PolarHBondContact O-N 2.91Å; K569-D573 PolarHBondContact NZ-O 3.21Å; K569-D573 WeakPolarHBondContact O-CA 3.41Å; K569-D573 PolarHBondContact O-N 3.2Å; K569-V576 HydrophobicContact CD-CG2 4.01Å; K569-V576 WeakPolarHBondContact CE-O 3.46Å; K569-V576 PolarHBondContact NZ-O 2.84Å; K569-E577 WeakPolarHBondContact CE-O 3.48Å; K569-V579 HydrophobicContact CB-CB 4.5Å; K569-V579 HydrophobicContact CB-CG2 3.85Å; K569-V579 HydrophobicContact CD-CG2 4.28Å
570	D	92.4	Very high	92.1	Very high	124 Å²	124	60.1 Å²	60.1	66%	0.663	29%	0.292	S	S	*	.	H	α-helix	trans	-70.1	-38.5	177.3	-64	-19.1	0	0	0	111.8	K566 V567 I568	K566-D570 VanDerWaalsContact O-CG 3.27Å; K566-D570 PolarHBondContact O-N 2.95Å; V567-D570 PolarHBondContact O-N 3.29Å; I568-D570 VanDerWaalsContact C-N 3.29Å; I568-D570 PolarHBondContact O-N 3.42Å
571	I	91.3	Very high	92.1	Very high	37 Å²	37	56.3 Å²	56.3	19%	0.19	28%	0.277	C	S	.	.	H	α-helix	trans	-66.7	-41.1	176.1	-67.9	164.4	0	0	0	111.3	V567 I568 K653 V656 I657	V567-I571 HydrophobicContact CG1-CD1 3.88Å; V567-I571 HydrophobicContact CG1-CG1 4.48Å; V567-I571 VanDerWaalsContact O-CG1 3.27Å; V567-I571 WeakPolarHBondContact O-CG1 3.49Å; V567-I571 PolarHBondContact O-N 2.95Å; I568-I571 PolarHBondContact O-N 3.35Å; I571-K653 HydrophobicContact CD1-CG 4.03Å; I571-K653 HydrophobicContact CG1-CG 4.1Å; I571-K653 HydrophobicContact CG2-CB 4.48Å; I571-V656 HydrophobicContact CB-CG1 4.22Å; I571-V656 HydrophobicContact CD1-CB 4.24Å; I571-V656 HydrophobicContact CD1-CG1 4.25Å; I571-V656 HydrophobicContact CD1-CG2 4.12Å; I571-V656 HydrophobicContact CG2-CB 4.24Å; I571-V656 HydrophobicContact CG2-CG1 3.86Å; I571-I657 HydrophobicContact CG2-CG1 4.06Å
572	L	91.3	Very high	91.8	Very high	2 Å²	2	56.3 Å²	56.3	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-87	-14.8	-177	-63.5	179.3	0	0	0	113.1	I568 N574 K575 V576 L627 V656 I657 F660	I568-L572 HydrophobicContact CG2-CD1 3.65Å; I568-L572 HydrophobicContact CG2-CG 4.2Å; I568-L572 WeakPolarHBondContact O-CB 3.39Å; I568-L572 WeakPolarHBondContact O-CG 3.43Å; I568-L572 PolarHBondContact O-N 2.99Å; L572-N574 PolarHBondContact O-N 3.05Å; L572-N574 VanDerWaalsContact O-N 3.17Å; L572-K575 HydrophobicContact CB-CB 4.47Å; L572-K575 WeakPolarHBondContact O-CA 3.45Å; L572-K575 WeakPolarHBondContact O-CB 3.48Å; L572-K575 VanDerWaalsContact O-CG 3.31Å; L572-K575 WeakPolarHBondContact O-CG 3.5Å; L572-K575 PolarHBondContact O-N 3.38Å; L572-V576 HydrophobicContact CB-CG2 3.79Å; L572-V576 HydrophobicContact CD1-CG1 4.29Å; L572-V576 HydrophobicContact CD1-CG2 3.98Å; L572-L627 HydrophobicContact CD1-CD2 3.82Å; L572-V656 HydrophobicContact CD1-CG1 4.49Å; L572-V656 HydrophobicContact CD2-CG1 4.26Å; L572-V656 HydrophobicContact CG-CG1 4.18Å; L572-I657 HydrophobicContact CD2-CG1 4.47Å; L572-F660 HydrophobicContact CD1-CB 3.93Å; L572-F660 HydrophobicContact CD1-CD2 3.74Å; L572-F660 HydrophobicContact CD1-CG 3.91Å; L572-F660 HydrophobicContact CD2-CB 3.66Å; L572-F660 HydrophobicContact CD2-CD1 3.95Å; L572-F660 HydrophobicContact CD2-CD2 4.3Å; L572-F660 HydrophobicContact CD2-CG 3.69Å; L572-F660 HydrophobicContact CG-CB 4.48Å; L572-F660 HydrophobicContact CG-CG 4.45Å
573	D	87	Confident	91.3	Very high	87 Å²	87	53.2 Å²	53.2	47%	0.465	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	36.6	-114.4	176.4	-172.1	33.9	0	0	0	113.3	K569 K575 V576	K569-D573 PolarHBondContact NZ-O 3.21Å; K569-D573 WeakPolarHBondContact O-CA 3.41Å; K569-D573 PolarHBondContact O-N 3.2Å; D573-K575 PolarHBondContact O-N 3.15Å; D573-K575 VanDerWaalsContact O-N 3.15Å; D573-V576 VanDerWaalsContact O-O 3.09Å
574	N	85.7	Confident	91.2	Very high	149 Å²	149	48.4 Å²	48.4	80%	0.797	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-72.6	-1.5	-176.7	-65.3	-46.4	0	0	0	114.8	L572	L572-N574 PolarHBondContact O-N 3.05Å; L572-N574 VanDerWaalsContact O-N 3.17Å
575	K	88.4	Confident	91.2	Very high	93 Å²	93	49 Å²	49	40%	0.404	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-81.4	-25.5	180	-57.6	-171.9	175.9	-164.6	0	113.5	L572 D573 F660	L572-K575 HydrophobicContact CB-CB 4.47Å; L572-K575 WeakPolarHBondContact O-CA 3.45Å; L572-K575 WeakPolarHBondContact O-CB 3.48Å; L572-K575 VanDerWaalsContact O-CG 3.31Å; L572-K575 WeakPolarHBondContact O-CG 3.5Å; L572-K575 PolarHBondContact O-N 3.38Å; D573-K575 PolarHBondContact O-N 3.15Å; D573-K575 VanDerWaalsContact O-N 3.15Å; K575-F660 HydrophobicContact CB-CE1 3.89Å; K575-F660 HydrophobicContact CB-CE2 4.48Å; K575-F660 HydrophobicContact CB-CZ 3.72Å; K575-F660 HydrophobicContact CD-CD1 4.28Å; K575-F660 HydrophobicContact CD-CE1 3.76Å; K575-F660 HydrophobicContact CD-CZ 4.46Å; K575-F660 HydrophobicContact CG-CE1 4.4Å
576	V	92.2	Very high	91	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.03	25%	0.252	C	S	.	.			trans	-138	143.6	176.7	-62.4	0	0	0	0	110.9	K569 L572 D573 V579 I592 K625 L627 F660	K569-V576 HydrophobicContact CD-CG2 4.01Å; K569-V576 WeakPolarHBondContact CE-O 3.46Å; K569-V576 PolarHBondContact NZ-O 2.84Å; L572-V576 HydrophobicContact CB-CG2 3.79Å; L572-V576 HydrophobicContact CD1-CG1 4.29Å; L572-V576 HydrophobicContact CD1-CG2 3.98Å; D573-V576 VanDerWaalsContact O-O 3.09Å; V576-V579 HydrophobicContact CG2-CG2 3.9Å; V576-I592 HydrophobicContact CG1-CD1 4.46Å; V576-K625 CarbonylContact C-O 3.45Å; V576-K625 WeakPolarHBondContact CA-O 3.27Å; V576-L627 HydrophobicContact CG1-CB 4.33Å; V576-F660 HydrophobicContact CG1-CD2 3.83Å; V576-F660 HydrophobicContact CG1-CE2 3.25Å; V576-F660 HydrophobicContact CG1-CZ 4.09Å
577	E	91.3	Very high	90.9	Very high	90 Å²	90	50.2 Å²	50.2	42%	0.421	26%	0.258	S	S	.	.	S	Bend	trans	-81.5	-34.6	176.7	178.5	175.9	-143.7	0	0	112	K569 K624 K625 H626	K569-E577 WeakPolarHBondContact CE-O 3.48Å; E577-K624 HydrophobicContact CB-CB 4.26Å; E577-K624 HydrophobicContact CG-CD 4.33Å; E577-K624 WeakPolarHBondContact OE1-CD 3.5Å; E577-K624 IonicContact OE1-NZ 3.6Å; E577-K624 PolarHBondContact OE1-NZ 3.35Å; E577-K624 WeakPolarHBondContact OE2-CB 3.42Å; E577-K624 WeakPolarHBondContact OE2-CD 3.38Å; E577-K624 IonicContact OE2-NZ 2.71Å; E577-K625 PolarHBondContact N-O 3.49Å; E577-H626 IonicContact OE2-CE1 3Å; E577-H626 PolarHBondContact OE2-CE1 3.27Å; E577-H626 IonicContact OE2-ND1 2.7Å; E577-H626 IonicContact OE2-NE2 3.87Å
578	K	93.1	Very high	91	Very high	109 Å²	109	50.6 Å²	50.6	47%	0.474	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	144.7	-175.1	-157	-171.6	-176.5	-177.6	0	110.9	T580 H626 L627	K578-T580 HydrophobicContact CD-CG2 3.51Å; K578-T580 HydrophobicContact CG-CG2 3.68Å; K578-H626 HydrophobicContact CB-CB 4.22Å; K578-H626 WeakPolarHBondContact CB-ND1 3.17Å; K578-H626 PolarHBondContact N-ND1 3.1Å; K578-H626 CarbonylContact O-C 3.56Å; K578-H626 VanDerWaalsContact O-CA 3.3Å; K578-H626 WeakPolarHBondContact O-CA 3.5Å; K578-L627 PolarHBondContact O-N 3.28Å
579	V	95.4	Very high	91.1	Very high	14 Å²	14	51.8 Å²	51.8	9%	0.085	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	125.9	169.8	-173.9	0	0	0	0	108.1	C565 I568 K569 V576 L627 I629	C565-V579 HydrophobicContact CB-CB 4.22Å; C565-V579 HydrophobicContact CB-CG1 4.06Å; I568-V579 HydrophobicContact CB-CG1 4.2Å; I568-V579 HydrophobicContact CB-CG2 4.41Å; I568-V579 HydrophobicContact CG2-CG1 4.03Å; I568-V579 HydrophobicContact CG2-CG2 3.94Å; K569-V579 HydrophobicContact CB-CB 4.5Å; K569-V579 HydrophobicContact CB-CG2 3.85Å; K569-V579 HydrophobicContact CD-CG2 4.28Å; V576-V579 HydrophobicContact CG2-CG2 3.9Å; V579-L627 CarbonylContact C-O 3.56Å; V579-L627 VanDerWaalsContact CA-O 3.27Å; V579-L627 WeakPolarHBondContact CA-O 3.39Å; V579-L627 HydrophobicContact CG1-CB 4.37Å; V579-L627 HydrophobicContact CG1-CD2 4.13Å; V579-L627 HydrophobicContact CG1-CG 4.44Å; V579-L627 HydrophobicContact CG2-CB 4.25Å; V579-L627 HydrophobicContact CG2-CD2 4.43Å; V579-I629 HydrophobicContact CG1-CG2 4.25Å
580	T	94.1	Very high	91.2	Very high	37 Å²	37	49.4 Å²	49.4	23%	0.227	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	160.6	-175.2	63.2	0	0	0	0	112.7	K578 L627 E628 I629	K578-T580 HydrophobicContact CD-CG2 3.51Å; K578-T580 HydrophobicContact CG-CG2 3.68Å; T580-L627 PolarHBondContact N-O 3.13Å; T580-E628 CarbonylContact O-C 3.55Å; T580-E628 VanDerWaalsContact O-CA 3.26Å; T580-E628 WeakPolarHBondContact O-CA 3.48Å; T580-I629 WeakPolarHBondContact O-CG1 3.34Å; T580-I629 PolarHBondContact O-N 2.91Å
581	V	93.4	Very high	91.3	Very high	13 Å²	13	43.5 Å²	43.5	8%	0.079	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128.3	171.3	-180	0	0	0	0	109.7	D557 K558 I629 P631	D557-V581 HydrophobicContact CB-CG1 4.25Å; K558-V581 HydrophobicContact CG-CB 4.07Å; K558-V581 HydrophobicContact CG-CG2 4.37Å; V581-I629 HydrophobicContact CG2-CD1 4.47Å; V581-I629 HydrophobicContact CG2-CG1 4.32Å; V581-P631 HydrophobicContact CG1-CB 4.2Å; V581-P631 HydrophobicContact CG1-CG 3.67Å
582	S	88.4	Confident	91.5	Very high	10 Å²	10	41.8 Å²	41.8	7%	0.07	22%	0.219	C	C	.	.			trans	-79.7	149.5	179.8	-163.3	0	0	0	0	112.5	R584 L585 E628 I629	S582-R584 WeakPolarHBondContact OG-CG 3.4Å; S582-R584 PolarHBondContact OG-N 2.62Å; S582-L585 PolarHBondContact OG-N 3.39Å; S582-E628 WeakPolarHBondContact CB-OE2 3.26Å; S582-E628 PolarHBondContact OG-OE2 3.15Å; S582-I629 WeakPolarHBondContact CB-O 3.28Å; S582-I629 PolarHBondContact N-O 3.04Å
583	N	83.4	Confident	91.6	Very high	34 Å²	34	41.7 Å²	41.7	18%	0.182	22%	0.219	C	C	.	.	S	Bend	trans	-106.7	-2.1	163.1	67.8	-17.3	0	0	0	113.1	L542	L542-N583 PolarHBondContact O-ND2 2.92Å
584	R	89.4	Confident	91.9	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-107.7	-15.4	-170.8	83.3	-173.6	70.9	-157.6	4.7	114.7	A503 V537 R539 L542 S582 E628	A503-R584 WeakPolarHBondContact CB-O 3.18Å; A503-R584 PolarHBondContact N-O 2.96Å; A503-R584 VanDerWaalsContact N-O 3.1Å; V537-R584 PolarHBondContact O-NH1 3.26Å; R539-R584 PolarHBondContact O-NH1 3Å; R539-R584 PolarHBondContact O-NH2 3.02Å; L542-R584 VanDerWaalsContact CB-CZ 3.43Å; L542-R584 HydrophobicContact CD2-CB 3.99Å; S582-R584 WeakPolarHBondContact OG-CG 3.4Å; S582-R584 PolarHBondContact OG-N 2.62Å; R584-E628 IonicContact CZ-OE1 2.67Å; R584-E628 IonicContact CZ-OE2 2.95Å; R584-E628 IonicContact NE-OE1 2.78Å; R584-E628 PolarHBondContact NE-OE1 3.4Å; R584-E628 IonicContact NE-OE2 3.71Å; R584-E628 PolarHBondContact NE-OE2 2.93Å; R584-E628 IonicContact NH2-OE1 3.43Å; R584-E628 PolarHBondContact NH2-OE1 2.85Å; R584-E628 IonicContact NH2-OE2 3Å
585	L	91.8	Very high	92.1	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.079	16%	0.162	C	C	.	.			trans	-88.8	146.3	-178.8	-61.4	-178.4	0	0	0	111.7	S582 C591 N630	S582-L585 PolarHBondContact OG-N 3.39Å; L585-C591 HydrophobicContact CD1-CB 4.27Å; L585-C591 HydrophobicContact CD2-CB 3.92Å; L585-N630 HydrophobicContact CB-CB 3.89Å; L585-N630 HydrophobicContact CD1-CB 4.11Å
586	V	91.1	Very high	91.9	Very high	39 Å²	39	31.5 Å²	31.5	24%	0.236	17%	0.167	C	C	.	.	S	Bend	trans	-125	-60.4	175.5	-178.2	0	0	0	0	110.4	E502 A503 K506 N630	E502-V586 HydrophobicContact CB-CB 3.95Å; E502-V586 HydrophobicContact CB-CG2 3.8Å; E502-V586 WeakPolarHBondContact OE2-CA 3.47Å; E502-V586 PolarHBondContact OE2-N 3.49Å; A503-V586 HydrophobicContact CB-CG2 4.04Å; K506-V586 HydrophobicContact CB-CG2 4.36Å; K506-V586 HydrophobicContact CD-CG1 3.9Å; K506-V586 HydrophobicContact CD-CG2 3.79Å; V586-N630 PolarHBondContact O-ND2 2.81Å
587	N	91.1	Very high	91.5	Very high	117 Å²	117	40.3 Å²	40.3	63%	0.626	20%	0.201	S	C	*	.	S	Bend	trans	-96.9	-36.8	-176.7	-53.9	-48.1	0	0	0	111.1	E502 N633	E502-N587 PolarHBondContact OE2-N 3.23Å; N587-N633 PolarHBondContact O-ND2 3.32Å
588	S	94.1	Very high	91.2	Very high	28 Å²	28	37.2 Å²	37.2	20%	0.196	19%	0.193	C	C	.	.			trans	-70	139.7	-175.6	-63.2	0	0	0	0	111.4	S499 E502 N630	S499-S588 VanDerWaalsContact CB-OG 3.27Å; S499-S588 WeakPolarHBondContact CB-OG 3.38Å; E502-S588 PolarHBondContact OE1-OG 2.91Å; E502-S588 VanDerWaalsContact OE1-OG 3.09Å; E502-S588 PolarHBondContact OE2-N 3.16Å; S588-N630 WeakPolarHBondContact O-CB 3.34Å; S588-N630 PolarHBondContact O-ND2 3.2Å
589	P	94.7	Very high	91	Very high	29 Å²	29	32.8 Å²	32.8	19%	0.188	17%	0.174	C	C	.	.	S	Bend	trans	-71.1	-35.7	179.8	26.7	-33.2	0	0	0	112.5	N630 N633 I635 I636 L659	P589-N630 WeakPolarHBondContact O-CB 3.3Å; P589-N630 PolarHBondContact O-N 3.22Å; P589-N633 HydrophobicContact CB-CB 4.37Å; P589-I635 HydrophobicContact CB-CB 4.46Å; P589-I635 HydrophobicContact CB-CD1 4.46Å; P589-I635 HydrophobicContact CG-CD1 4.49Å; P589-I636 HydrophobicContact CB-CD1 4.22Å; P589-I636 HydrophobicContact CB-CG1 4.17Å; P589-I636 WeakPolarHBondContact O-CD1 3.16Å; P589-I636 VanDerWaalsContact O-CG1 3.31Å; P589-I636 WeakPolarHBondContact O-CG1 3.27Å; P589-L659 HydrophobicContact CB-CD2 4.44Å; P589-L659 HydrophobicContact CG-CD2 4.02Å
590	C	95.1	Very high	90.8	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.034	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	167.3	176.8	49.2	0	0	0	0	111.2	L627 E628 I629 S663	C590-L627 HydrophobicContact CB-CD1 3.8Å; C590-L627 HydrophobicContact CB-CG 4.42Å; C590-E628 CarbonylContact C-O 3.55Å; C590-E628 WeakPolarHBondContact CA-O 3.4Å; C590-E628 WeakPolarHBondContact CB-O 3.45Å; C590-I629 HydrophobicContact CB-CG2 4.14Å; C590-S663 PolarHBondContact O-OG 3.02Å; C590-S663 PolarHBondContact SG-OG 3.04Å
591	C	95.3	Very high	90.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.3	173.9	66.8	0	0	0	0	111.4	F500 L585 E628	F500-C591 HydrophobicContact CE1-CB 3.99Å; F500-C591 HydrophobicContact CZ-CB 4.32Å; L585-C591 HydrophobicContact CD1-CB 4.27Å; L585-C591 HydrophobicContact CD2-CB 3.92Å; C591-E628 PolarHBondContact N-O 3.08Å; C591-E628 PolarHBondContact O-N 3.11Å
592	I	94.9	Very high	90.7	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	113.6	175.3	-57.3	-63.3	0	0	0	109.9	F500 V576 K625 H626 L627 F660 L664 S667 F669	F500-I592 VanDerWaalsContact CZ-O 3.27Å; F500-I592 WeakPolarHBondContact CZ-O 3.24Å; V576-I592 HydrophobicContact CG1-CD1 4.46Å; I592-K625 HydrophobicContact CG2-CB 3.86Å; I592-K625 HydrophobicContact CG2-CD 4.22Å; I592-K625 HydrophobicContact CG2-CG 4.24Å; I592-H626 CarbonylContact C-O 3.56Å; I592-H626 WeakPolarHBondContact CA-O 3.21Å; I592-L627 HydrophobicContact CD1-CB 4.09Å; I592-L627 HydrophobicContact CD1-CD1 3.48Å; I592-L627 VanDerWaalsContact CD1-CD1 3.48Å; I592-L627 HydrophobicContact CD1-CG 4.39Å; I592-F660 HydrophobicContact CD1-CD2 3.64Å; I592-F660 HydrophobicContact CD1-CE2 3.58Å; I592-F660 HydrophobicContact CG1-CE2 4.43Å; I592-L664 HydrophobicContact CB-CD2 4.47Å; I592-L664 HydrophobicContact CG1-CD2 3.97Å; I592-L664 HydrophobicContact CG1-CG 4.17Å; I592-L664 HydrophobicContact CG2-CD2 4.19Å; I592-S667 PolarHBondContact N-OG 2.93Å; I592-S667 WeakPolarHBondContact O-CB 3.49Å; I592-S667 PolarHBondContact O-OG 2.83Å; I592-F669 HydrophobicContact CB-CD2 4.31Å; I592-F669 HydrophobicContact CB-CE2 3.97Å; I592-F669 HydrophobicContact CG2-CD2 4.05Å; I592-F669 HydrophobicContact CG2-CE2 3.48Å; I592-F669 VanDerWaalsContact CG2-CE2 3.48Å; I592-F669 HydrophobicContact CG2-CZ 4.08Å
593	V	94.3	Very high	90.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	152.2	172.5	-62.6	0	0	0	0	110.9	F500 E540 H626 E628	F500-V593 HydrophobicContact CD1-CG1 4.4Å; F500-V593 HydrophobicContact CE1-CG1 3.67Å; E540-V593 HydrophobicContact CB-CG2 3.99Å; V593-H626 HydrophobicContact CG2-CB 3.72Å; V593-H626 PolarHBondContact N-O 3.08Å; V593-H626 PolarHBondContact O-N 3.4Å; V593-E628 HydrophobicContact CG1-CG 4.19Å; V593-E628 HydrophobicContact CG2-CG 4.03Å
594	T	92.5	Very high	91	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.018	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	146.9	168.8	46.9	0	0	0	0	110.6	T538 R539 E540 A623 F669	T538-T594 PolarHBondContact O-N 3.3Å; T538-T594 VanDerWaalsContact O-N 3.12Å; T538-T594 PolarHBondContact O-OG1 3.11Å; R539-T594 CarbonylContact C-O 3.48Å; R539-T594 WeakPolarHBondContact CA-O 3.25Å; E540-T594 PolarHBondContact N-O 3.48Å; T594-A623 HydrophobicContact CG2-CB 4.12Å; T594-F669 HydrophobicContact CG2-CE1 4.09Å; T594-F669 HydrophobicContact CG2-CZ 3.51Å
595	G	89.2	Confident	91	Very high	5 Å²	5	33.3 Å²	33.3	5%	0.052	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-57.6	166.5	170.8	0	0	0	0	0	112.9	E540 Y597 K624	E540-G595 WeakPolarHBondContact OE1-CA 3.43Å; G595-Y597 PolarHBondContact O-N 3.17Å; G595-K624 PolarHBondContact N-O 2.96Å
596	Q	85	Confident	90.9	Very high	107 Å²	107	33.2 Å²	33.2	50%	0.5	17%	0.169	S	C	.	.	S	Bend	trans	-61.7	-26.5	-179.6	-70.1	-172.7	4	0	0	113.4	R539 E540	R539-Q596 PolarHBondContact NH1-O 3.23Å; E540-Q596 HydrophobicContact CG-CG 3.63Å; E540-Q596 PolarHBondContact OE1-N 3.13Å
597	Y	84.2	Confident	90.8	Very high	190 Å²	190	32.4 Å²	32.4	75%	0.745	16%	0.163	S	C	*	.	S	Bend	trans	-116.2	153.9	-179.6	-55.9	-79	0	0	0	111.1	G595 A623	G595-Y597 PolarHBondContact O-N 3.17Å; Y597-A623 WeakPolarHBondContact O-CB 3.18Å
598	G	85.7	Confident	90.5	Very high	26 Å²	26	31.1 Å²	31.1	27%	0.268	15%	0.151	S	C	.	.	S	Bend	trans	93.4	-172.1	-176.3	0	0	0	0	0	114.1	R539 M621	R539-G598 PolarHBondContact NH1-O 2.91Å; R539-G598 PolarHBondContact NH2-O 3.2Å; G598-M621 WeakPolarHBondContact CA-O 3.42Å
599	W	88.5	Confident	90.1	Very high	16 Å²	16	33.8 Å²	33.8	6%	0.061	18%	0.175	C	C	.	.			trans	-75.3	139.3	-177.8	-68.7	-23.1	0	0	0	112.9	M603 E604 M607 M618 M621 A623	W599-M603 HydrophobicContact CB-CB 4.1Å; W599-M603 HydrophobicContact CB-CG 4.1Å; W599-M603 HydrophobicContact CD2-CG 4.46Å; W599-M603 HydrophobicContact CG-CB 4.32Å; W599-M603 HydrophobicContact CG-CG 3.77Å; W599-E604 HydrophobicContact CB-CB 4.39Å; W599-M607 HydrophobicContact CH2-CB 4.26Å; W599-M607 HydrophobicContact CZ2-CB 4.4Å; W599-M607 HydrophobicContact CZ2-CG 4.19Å; W599-M607 HydrophobicContact CZ3-CB 4.35Å; W599-M618 HydrophobicContact CZ3-CB 4.19Å; W599-M618 HydrophobicContact CZ3-CG 3.96Å; W599-M621 HydrophobicContact CD2-CB 3.67Å; W599-M621 VanDerWaalsContact CE2-CB 3.48Å; W599-M621 HydrophobicContact CE3-CB 3.91Å; W599-M621 HydrophobicContact CG-CB 4.28Å; W599-M621 HydrophobicContact CH2-CB 3.76Å; W599-M621 HydrophobicContact CH2-CG 4.3Å; W599-M621 HydrophobicContact CZ2-CB 3.56Å; W599-M621 HydrophobicContact CZ2-CE 4.49Å; W599-M621 HydrophobicContact CZ2-CG 3.87Å; W599-M621 HydrophobicContact CZ3-CB 3.94Å; W599-M621 PolarHBondContact N-O 3Å; W599-A623 WeakPolarHBondContact O-CB 3.47Å
600	S	91.5	Very high	89.6	Confident	4 Å²	4	36.6 Å²	36.6	3%	0.028	19%	0.186	C	C	.	.			trans	-64.3	163.5	163	65.1	0	0	0	0	109.8	E520 N602 M603 E604	E520-S600 VanDerWaalsContact CD-OG 3.29Å; E520-S600 PolarHBondContact OE1-OG 3.24Å; E520-S600 PolarHBondContact OE2-OG 2.86Å; S600-N602 PolarHBondContact O-N 2.93Å; S600-M603 PolarHBondContact O-N 3.47Å; S600-M603 VanDerWaalsContact OG-CB 3.22Å; S600-M603 WeakPolarHBondContact OG-CB 2.94Å; S600-M603 PolarHBondContact OG-N 3.31Å; S600-E604 WeakPolarHBondContact O-CB 3.19Å; S600-E604 PolarHBondContact O-N 3.05Å
601	A	91.6	Very high	88.8	Confident	11 Å²	11	41.4 Å²	41.4	9%	0.091	23%	0.226	C	C	.	.	H	α-helix	trans	-54.8	-42.3	172.8	0	0	0	0	0	112	E604 R605 S667 F669	A601-E604 PolarHBondContact O-N 2.85Å; A601-R605 WeakPolarHBondContact O-CB 3.37Å; A601-R605 PolarHBondContact O-N 2.79Å; A601-S667 WeakPolarHBondContact CB-O 3.44Å; A601-F669 HydrophobicContact CB-CD1 3.82Å; A601-F669 HydrophobicContact CB-CD2 3.9Å; A601-F669 HydrophobicContact CB-CE1 3.69Å; A601-F669 HydrophobicContact CB-CE2 3.76Å; A601-F669 HydrophobicContact CB-CG 3.95Å; A601-F669 HydrophobicContact CB-CZ 3.69Å
602	N	92.3	Very high	87.9	Confident	14 Å²	14	50 Å²	50	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-70.3	-38.7	179.3	-178.1	54.5	0	0	0	112.4	E520 S600 R605 I606	E520-N602 VanDerWaalsContact CG-ND2 3.26Å; E520-N602 WeakPolarHBondContact CG-ND2 3.4Å; E520-N602 WeakPolarHBondContact OE1-CB 3.48Å; E520-N602 PolarHBondContact OE1-ND2 2.91Å; E520-N602 VanDerWaalsContact OE1-ND2 3.14Å; S600-N602 PolarHBondContact O-N 2.93Å; N602-R605 WeakPolarHBondContact O-CB 3.26Å; N602-R605 PolarHBondContact O-N 3.31Å; N602-R605 PolarHBondContact OD1-NE 3.41Å; N602-R605 PolarHBondContact OD1-NH2 3.21Å; N602-I606 WeakPolarHBondContact O-CD1 3.37Å; N602-I606 VanDerWaalsContact O-CG1 3.27Å; N602-I606 WeakPolarHBondContact O-CG1 3.31Å; N602-I606 PolarHBondContact O-N 3.25Å
603	M	90.6	Very high	86.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.2	-40.6	173.3	-175.7	57	99.5	0	0	111.9	E520 Y521 W599 S600 R605 I606 M607	E520-M603 HydrophobicContact CB-CE 3.52Å; E520-M603 HydrophobicContact CB-SD 4.15Å; Y521-M603 HydrophobicContact CD1-CE 4.3Å; Y521-M603 HydrophobicContact CD2-CE 4.39Å; Y521-M603 HydrophobicContact CE1-CE 4.37Å; Y521-M603 HydrophobicContact CE2-CE 4.48Å; Y521-M603 HydrophobicContact CG-CE 4.32Å; W599-M603 HydrophobicContact CB-CB 4.1Å; W599-M603 HydrophobicContact CB-CG 4.1Å; W599-M603 HydrophobicContact CD2-CG 4.46Å; W599-M603 HydrophobicContact CG-CB 4.32Å; W599-M603 HydrophobicContact CG-CG 3.77Å; S600-M603 PolarHBondContact O-N 3.47Å; S600-M603 VanDerWaalsContact OG-CB 3.22Å; S600-M603 WeakPolarHBondContact OG-CB 2.94Å; S600-M603 PolarHBondContact OG-N 3.31Å; M603-R605 VanDerWaalsContact C-N 3.31Å; M603-R605 PolarHBondContact O-N 2.85Å; M603-I606 PolarHBondContact O-N 3.14Å; M603-M607 HydrophobicContact CE-CE 4Å; M603-M607 HydrophobicContact CG-CE 4.38Å; M603-M607 HydrophobicContact CG-CG 4.1Å; M603-M607 WeakPolarHBondContact O-CB 3.43Å; M603-M607 WeakPolarHBondContact O-CG 3.33Å; M603-M607 PolarHBondContact O-N 3.19Å; M603-M607 HydrophobicContact SD-CE 3.4Å; M603-M607 WeakPolarHBondContact SD-CE 3.3Å; M603-M607 HydrophobicContact SD-CG 3.73Å; M603-M607 HydrophobicContact SD-SD 4.42Å
604	E	89.1	Confident	85.9	Confident	12 Å²	12	57.2 Å²	57.2	6%	0.056	31%	0.306	C	S	.	.	H	α-helix	trans	-58.4	-45.8	174.6	-173.1	-173.7	156.2	0	0	110.7	W599 S600 A601 M607 K608 M618	W599-E604 HydrophobicContact CB-CB 4.39Å; S600-E604 WeakPolarHBondContact O-CB 3.19Å; S600-E604 PolarHBondContact O-N 3.05Å; A601-E604 PolarHBondContact O-N 2.85Å; E604-M607 PolarHBondContact O-N 3.28Å; E604-K608 HydrophobicContact CG-CD 4.29Å; E604-K608 WeakPolarHBondContact O-CB 3.38Å; E604-K608 VanDerWaalsContact O-CG 3.3Å; E604-K608 WeakPolarHBondContact O-CG 3.4Å; E604-K608 PolarHBondContact O-N 3.32Å; E604-K608 WeakPolarHBondContact OE1-CE 3.4Å; E604-K608 IonicContact OE1-NZ 3.8Å; E604-K608 PolarHBondContact OE1-NZ 2.87Å; E604-M618 HydrophobicContact CG-CE 4.27Å
605	R	89.1	Confident	85	Confident	77 Å²	77	61.5 Å²	61.5	29%	0.291	34%	0.336	S	S	.	.	H	α-helix	trans	-59.3	-50	175.6	-178	-167.9	65.5	86.7	1.1	112.3	E490 A601 N602 M603 M607 K608 A609	E490-R605 WeakPolarHBondContact OE1-CD 3.47Å; E490-R605 IonicContact OE1-CZ 3.72Å; E490-R605 IonicContact OE1-NE 3.04Å; E490-R605 PolarHBondContact OE1-NE 3.22Å; E490-R605 IonicContact OE1-NH1 2.8Å; A601-R605 WeakPolarHBondContact O-CB 3.37Å; A601-R605 PolarHBondContact O-N 2.79Å; N602-R605 WeakPolarHBondContact O-CB 3.26Å; N602-R605 PolarHBondContact O-N 3.31Å; N602-R605 PolarHBondContact OD1-NE 3.41Å; N602-R605 PolarHBondContact OD1-NH2 3.21Å; M603-R605 VanDerWaalsContact C-N 3.31Å; M603-R605 PolarHBondContact O-N 2.85Å; R605-M607 VanDerWaalsContact C-N 3.34Å; R605-M607 PolarHBondContact O-N 3.35Å; R605-K608 PolarHBondContact O-N 2.7Å; R605-A609 PolarHBondContact O-N 3.16Å
606	I	89.9	Confident	84.4	Confident	14 Å²	14	64.7 Å²	64.7	7%	0.072	36%	0.357	C	S	.	.	H	α-helix	trans	-58.5	-48.5	178.8	-70.1	162.1	0	0	0	110.2	A517 E520 Y521 N602 M603 A609 Q610	A517-I606 HydrophobicContact CB-CD1 3.9Å; A517-I606 HydrophobicContact CB-CG1 4.11Å; A517-I606 HydrophobicContact CB-CG2 4.49Å; E520-I606 HydrophobicContact CB-CD1 4.21Å; E520-I606 HydrophobicContact CG-CD1 3.93Å; Y521-I606 HydrophobicContact CE2-CG2 4.13Å; N602-I606 WeakPolarHBondContact O-CD1 3.37Å; N602-I606 VanDerWaalsContact O-CG1 3.27Å; N602-I606 WeakPolarHBondContact O-CG1 3.31Å; N602-I606 PolarHBondContact O-N 3.25Å; M603-I606 PolarHBondContact O-N 3.14Å; I606-A609 PolarHBondContact O-N 2.95Å; I606-Q610 PolarHBondContact O-N 3.08Å
607	M	87.3	Confident	83.8	Confident	22 Å²	22	62.6 Å²	62.6	11%	0.108	35%	0.352	C	S	.	.	H	α-helix	trans	-72	-32.1	-174.7	-64.9	-78.5	-176.5	0	0	112.6	Y521 W599 M603 E604 R605 A609 Q610 R613	Y521-M607 HydrophobicContact CD1-CE 4.43Å; Y521-M607 HydrophobicContact CE1-CE 3.36Å; Y521-M607 VanDerWaalsContact CZ-CE 3.43Å; Y521-M607 WeakPolarHBondContact OH-CE 3.41Å; Y521-M607 PolarHBondContact OH-SD 2.88Å; W599-M607 HydrophobicContact CH2-CB 4.26Å; W599-M607 HydrophobicContact CZ2-CB 4.4Å; W599-M607 HydrophobicContact CZ2-CG 4.19Å; W599-M607 HydrophobicContact CZ3-CB 4.35Å; M603-M607 HydrophobicContact CE-CE 4Å; M603-M607 HydrophobicContact CG-CE 4.38Å; M603-M607 HydrophobicContact CG-CG 4.1Å; M603-M607 WeakPolarHBondContact O-CB 3.43Å; M603-M607 WeakPolarHBondContact O-CG 3.33Å; M603-M607 PolarHBondContact O-N 3.19Å; M603-M607 HydrophobicContact SD-CE 3.4Å; M603-M607 WeakPolarHBondContact SD-CE 3.3Å; M603-M607 HydrophobicContact SD-CG 3.73Å; M603-M607 HydrophobicContact SD-SD 4.42Å; E604-M607 PolarHBondContact O-N 3.28Å; R605-M607 VanDerWaalsContact C-N 3.34Å; R605-M607 PolarHBondContact O-N 3.35Å; M607-A609 VanDerWaalsContact C-N 3.28Å; M607-A609 PolarHBondContact O-N 2.85Å; M607-Q610 PolarHBondContact O-N 3.18Å; M607-R613 VanDerWaalsContact O-CZ 3.24Å; M607-R613 PolarHBondContact O-NE 2.86Å; M607-R613 PolarHBondContact O-NH1 2.84Å
608	K	85.1	Confident	83.3	Confident	89 Å²	89	55.5 Å²	55.5	39%	0.387	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-31.9	170.9	-80.6	178.9	179.8	174.8	0	112.8	E604 R605 Q610 M618	E604-K608 HydrophobicContact CG-CD 4.29Å; E604-K608 WeakPolarHBondContact O-CB 3.38Å; E604-K608 VanDerWaalsContact O-CG 3.3Å; E604-K608 WeakPolarHBondContact O-CG 3.4Å; E604-K608 PolarHBondContact O-N 3.32Å; E604-K608 WeakPolarHBondContact OE1-CE 3.4Å; E604-K608 IonicContact OE1-NZ 3.8Å; E604-K608 PolarHBondContact OE1-NZ 2.87Å; R605-K608 PolarHBondContact O-N 2.7Å; K608-Q610 VanDerWaalsContact C-N 3.28Å; K608-Q610 PolarHBondContact O-N 2.65Å; K608-M618 HydrophobicContact CD-CE 4.28Å; K608-M618 HydrophobicContact CD-SD 4.41Å; K608-M618 VanDerWaalsContact CE-SD 3.58Å; K608-M618 HydrophobicContact CG-CE 4.39Å; K608-M618 HydrophobicContact CG-SD 3.91Å
609	A	86.8	Confident	82.6	Confident	84 Å²	84	57.3 Å²	57.3	69%	0.694	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-8.6	179.6	0	0	0	0	0	113.5	R605 I606 M607	R605-A609 PolarHBondContact O-N 3.16Å; I606-A609 PolarHBondContact O-N 2.95Å; M607-A609 VanDerWaalsContact C-N 3.28Å; M607-A609 PolarHBondContact O-N 2.85Å
610	Q	84.6	Confident	81.8	Confident	88 Å²	88	66.8 Å²	66.8	41%	0.411	38%	0.382	S	S	.	.			trans	-82.8	116.1	179.7	-74.4	-175	-16.4	0	0	112.3	Y521 I606 M607 K608 L612 R613	Y521-Q610 PolarHBondContact OH-NE2 2.8Å; I606-Q610 PolarHBondContact O-N 3.08Å; M607-Q610 PolarHBondContact O-N 3.18Å; K608-Q610 VanDerWaalsContact C-N 3.28Å; K608-Q610 PolarHBondContact O-N 2.65Å; Q610-L612 VanDerWaalsContact C-N 3.31Å; Q610-L612 PolarHBondContact O-N 2.7Å; Q610-R613 HydrophobicContact CB-CB 4.48Å; Q610-R613 PolarHBondContact O-N 3.03Å
611	A	76.9	Confident	81.3	Confident	107 Å²	107	70.5 Å²	70.5	88%	0.884	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.4	-173.5	0	0	0	0	0	115.6
612	L	77.5	Confident	80.6	Confident	180 Å²	180	72 Å²	72	94%	0.942	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	1.6	-174.8	-64.6	177.3	0	0	0	113.8	Q610	Q610-L612 VanDerWaalsContact C-N 3.31Å; Q610-L612 PolarHBondContact O-N 2.7Å
613	R	71.6	Confident	80	Confident	51 Å²	51	71.7 Å²	71.7	19%	0.192	41%	0.409	C	S	.	.			trans	-84.2	135.2	-175.4	-165.3	-168.6	68.6	172.1	-3.1	111	M607 Q610 S615 M618	M607-R613 VanDerWaalsContact O-CZ 3.24Å; M607-R613 PolarHBondContact O-NE 2.86Å; M607-R613 PolarHBondContact O-NH1 2.84Å; Q610-R613 HydrophobicContact CB-CB 4.48Å; Q610-R613 PolarHBondContact O-N 3.03Å; R613-S615 PolarHBondContact O-N 2.87Å; R613-M618 PolarHBondContact NH2-SD 3.33Å
614	D	74.6	Confident	79.8	Confident	101 Å²	101	77.6 Å²	77.6	54%	0.54	44%	0.435	S	S	.	.			trans	-70.7	120.2	168.8	-176.3	2	0	0	0	110.7	S616 T617	D614-S616 PolarHBondContact O-N 2.86Å; D614-S616 WeakPolarHBondContact OD1-CB 3.4Å; D614-S616 PolarHBondContact OD1-N 3.3Å; D614-S616 PolarHBondContact OD1-OG 2.75Å; D614-S616 PolarHBondContact OD2-OG 2.95Å; D614-T617 PolarHBondContact O-N 3.31Å; D614-T617 PolarHBondContact O-OG1 3.03Å
615	S	74.3	Confident	79.9	Confident	93 Å²	93	79.2 Å²	79.2	65%	0.65	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-59.3	-24.2	177.6	-62.3	0	0	0	0	113.4	R613 T617 M618	R613-S615 PolarHBondContact O-N 2.87Å; S615-T617 VanDerWaalsContact C-N 3.27Å; S615-T617 PolarHBondContact O-N 2.78Å; S615-M618 WeakPolarHBondContact O-CB 3.48Å; S615-M618 PolarHBondContact O-N 3.06Å
616	S	76.4	Confident	80.2	Confident	73 Å²	73	75.9 Å²	75.9	51%	0.51	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-61.4	-34.2	-178.8	75.2	0	0	0	0	113.1	D614 M618	D614-S616 PolarHBondContact O-N 2.86Å; D614-S616 WeakPolarHBondContact OD1-CB 3.4Å; D614-S616 PolarHBondContact OD1-N 3.3Å; D614-S616 PolarHBondContact OD1-OG 2.75Å; D614-S616 PolarHBondContact OD2-OG 2.95Å; S616-M618 PolarHBondContact O-N 3.24Å
617	T	73.3	Confident	80.4	Confident	63 Å²	63	75.5 Å²	75.5	39%	0.387	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-71	-17.5	-178.6	59.7	0	0	0	0	113.5	D614 S615 G619 Y620	D614-T617 PolarHBondContact O-N 3.31Å; D614-T617 PolarHBondContact O-OG1 3.03Å; S615-T617 VanDerWaalsContact C-N 3.27Å; S615-T617 PolarHBondContact O-N 2.78Å; T617-G619 VanDerWaalsContact C-N 3.35Å; T617-G619 PolarHBondContact O-N 2.79Å; T617-Y620 PolarHBondContact O-N 3.01Å
618	M	72.6	Confident	80.8	Confident	40 Å²	40	75 Å²	75	20%	0.197	43%	0.425	C	S	.	.	H	α-helix	trans	-67.4	-33.9	-174.8	178.6	168.4	159.7	0	0	112.7	W599 E604 K608 R613 S615 S616 Y620 M621 S622	W599-M618 HydrophobicContact CZ3-CB 4.19Å; W599-M618 HydrophobicContact CZ3-CG 3.96Å; E604-M618 HydrophobicContact CG-CE 4.27Å; K608-M618 HydrophobicContact CD-CE 4.28Å; K608-M618 HydrophobicContact CD-SD 4.41Å; K608-M618 VanDerWaalsContact CE-SD 3.58Å; K608-M618 HydrophobicContact CG-CE 4.39Å; K608-M618 HydrophobicContact CG-SD 3.91Å; R613-M618 PolarHBondContact NH2-SD 3.33Å; S615-M618 WeakPolarHBondContact O-CB 3.48Å; S615-M618 PolarHBondContact O-N 3.06Å; S616-M618 PolarHBondContact O-N 3.24Å; M618-Y620 VanDerWaalsContact C-N 3.34Å; M618-Y620 PolarHBondContact O-N 3.49Å; M618-M621 PolarHBondContact O-N 3.05Å; M618-S622 WeakPolarHBondContact O-CB 3.33Å; M618-S622 PolarHBondContact O-N 3.44Å; M618-S622 PolarHBondContact O-OG 3.33Å
619	G	71.7	Confident	81.3	Confident	64 Å²	64	70.9 Å²	70.9	66%	0.66	41%	0.407	S	S	*	.	H	α-helix	trans	-61.3	-40.6	-179.8	0	0	0	0	0	113.1	T617	T617-G619 VanDerWaalsContact C-N 3.35Å; T617-G619 PolarHBondContact O-N 2.79Å
620	Y	71.8	Confident	81.7	Confident	215 Å²	215	67 Å²	67	84%	0.843	38%	0.375	S	S	*	.	H	α-helix	trans	-74.6	-26.8	-179.3	-62.7	-77.7	0	0	0	113.6	T617 M618	T617-Y620 PolarHBondContact O-N 3.01Å; M618-Y620 VanDerWaalsContact C-N 3.34Å; M618-Y620 PolarHBondContact O-N 3.49Å
621	M	81.1	Confident	82.1	Confident	82 Å²	82	63.4 Å²	63.4	40%	0.404	36%	0.359	S	S	.	.	H	α-helix	trans	-101.4	-11.1	-175.1	-64.3	-65.1	-73.8	0	0	113.6	G598 W599 M618 A623	G598-M621 WeakPolarHBondContact CA-O 3.42Å; W599-M621 HydrophobicContact CD2-CB 3.67Å; W599-M621 VanDerWaalsContact CE2-CB 3.48Å; W599-M621 HydrophobicContact CE3-CB 3.91Å; W599-M621 HydrophobicContact CG-CB 4.28Å; W599-M621 HydrophobicContact CH2-CB 3.76Å; W599-M621 HydrophobicContact CH2-CG 4.3Å; W599-M621 HydrophobicContact CZ2-CB 3.56Å; W599-M621 HydrophobicContact CZ2-CE 4.49Å; W599-M621 HydrophobicContact CZ2-CG 3.87Å; W599-M621 HydrophobicContact CZ3-CB 3.94Å; W599-M621 PolarHBondContact N-O 3Å; M618-M621 PolarHBondContact O-N 3.05Å; M621-A623 PolarHBondContact O-N 2.85Å; M621-A623 VanDerWaalsContact O-N 3.09Å
622	S	77	Confident	82.9	Confident	43 Å²	43	63.5 Å²	63.5	30%	0.301	34%	0.344	S	S	.	.			trans	-62.9	111.8	175.4	-67.8	0	0	0	0	109	M618	M618-S622 WeakPolarHBondContact O-CB 3.33Å; M618-S622 PolarHBondContact O-N 3.44Å; M618-S622 PolarHBondContact O-OG 3.33Å
623	A	78.3	Confident	83.7	Confident	7 Å²	7	55.9 Å²	55.9	6%	0.058	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-64.5	141.4	176.8	0	0	0	0	0	109.5	T594 Y597 W599 M621	T594-A623 HydrophobicContact CG2-CB 4.12Å; Y597-A623 WeakPolarHBondContact O-CB 3.18Å; W599-A623 WeakPolarHBondContact O-CB 3.47Å; M621-A623 PolarHBondContact O-N 2.85Å; M621-A623 VanDerWaalsContact O-N 3.09Å
624	K	86.1	Confident	84.8	Confident	125 Å²	125	58.4 Å²	58.4	54%	0.543	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-64.7	142.4	170.5	-59.4	-174.2	179.4	174.9	0	108.9	E577 G595	E577-K624 HydrophobicContact CB-CB 4.26Å; E577-K624 HydrophobicContact CG-CD 4.33Å; E577-K624 WeakPolarHBondContact OE1-CD 3.5Å; E577-K624 IonicContact OE1-NZ 3.6Å; E577-K624 PolarHBondContact OE1-NZ 3.35Å; E577-K624 WeakPolarHBondContact OE2-CB 3.42Å; E577-K624 WeakPolarHBondContact OE2-CD 3.38Å; E577-K624 IonicContact OE2-NZ 2.71Å; G595-K624 PolarHBondContact N-O 2.96Å
625	K	92.4	Very high	85.7	Confident	45 Å²	45	57.6 Å²	57.6	20%	0.196	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	133.4	-175.9	-59.6	-174	-176.2	85.3	0	109.5	V576 E577 I592 L664 F669	V576-K625 CarbonylContact C-O 3.45Å; V576-K625 WeakPolarHBondContact CA-O 3.27Å; E577-K625 PolarHBondContact N-O 3.49Å; I592-K625 HydrophobicContact CG2-CB 3.86Å; I592-K625 HydrophobicContact CG2-CD 4.22Å; I592-K625 HydrophobicContact CG2-CG 4.24Å; K625-L664 HydrophobicContact CD-CD2 3.82Å; K625-F669 HydrophobicContact CD-CD1 4.34Å; K625-F669 HydrophobicContact CD-CE1 4.16Å; K625-F669 HydrophobicContact CD-CZ 4.33Å; K625-F669 VanDerWaalsContact CE-CD1 3.47Å; K625-F669 HydrophobicContact CG-CE1 4.3Å; K625-F669 HydrophobicContact CG-CZ 4.26Å
626	H	94.1	Very high	86.7	Confident	8 Å²	8	53.2 Å²	53.2	4%	0.037	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.8	172.3	-47.7	-71.5	0	0	0	110.2	E540 E577 K578 I592 V593	E540-H626 IonicContact OE1-NE2 3.04Å; E540-H626 IonicContact OE2-CD2 3.05Å; E540-H626 IonicContact OE2-NE2 3.75Å; E540-H626 PolarHBondContact OE2-NE2 2.65Å; E577-H626 IonicContact OE2-CE1 3Å; E577-H626 PolarHBondContact OE2-CE1 3.27Å; E577-H626 IonicContact OE2-ND1 2.7Å; E577-H626 IonicContact OE2-NE2 3.87Å; K578-H626 HydrophobicContact CB-CB 4.22Å; K578-H626 WeakPolarHBondContact CB-ND1 3.17Å; K578-H626 PolarHBondContact N-ND1 3.1Å; K578-H626 CarbonylContact O-C 3.56Å; K578-H626 VanDerWaalsContact O-CA 3.3Å; K578-H626 WeakPolarHBondContact O-CA 3.5Å; I592-H626 CarbonylContact C-O 3.56Å; I592-H626 WeakPolarHBondContact CA-O 3.21Å; V593-H626 HydrophobicContact CG2-CB 3.72Å; V593-H626 PolarHBondContact N-O 3.08Å; V593-H626 PolarHBondContact O-N 3.4Å
627	L	95.8	Very high	87.5	Confident	5 Å²	5	50.8 Å²	50.8	3%	0.026	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	119.9	174.4	-178.4	71.3	0	0	0	109	I568 L572 V576 K578 V579 T580 C590 I592 I629	I568-L627 HydrophobicContact CG2-CD2 3.61Å; L572-L627 HydrophobicContact CD1-CD2 3.82Å; V576-L627 HydrophobicContact CG1-CB 4.33Å; K578-L627 PolarHBondContact O-N 3.28Å; V579-L627 CarbonylContact C-O 3.56Å; V579-L627 VanDerWaalsContact CA-O 3.27Å; V579-L627 WeakPolarHBondContact CA-O 3.39Å; V579-L627 HydrophobicContact CG1-CB 4.37Å; V579-L627 HydrophobicContact CG1-CD2 4.13Å; V579-L627 HydrophobicContact CG1-CG 4.44Å; V579-L627 HydrophobicContact CG2-CB 4.25Å; V579-L627 HydrophobicContact CG2-CD2 4.43Å; T580-L627 PolarHBondContact N-O 3.13Å; C590-L627 HydrophobicContact CB-CD1 3.8Å; C590-L627 HydrophobicContact CB-CG 4.42Å; I592-L627 HydrophobicContact CD1-CB 4.09Å; I592-L627 HydrophobicContact CD1-CD1 3.48Å; I592-L627 VanDerWaalsContact CD1-CD1 3.48Å; I592-L627 HydrophobicContact CD1-CG 4.39Å; L627-I629 HydrophobicContact CD2-CG2 4.4Å; L627-I629 HydrophobicContact CG-CG2 4.35Å
628	E	95.1	Very high	88.4	Confident	13 Å²	13	51.4 Å²	51.4	6%	0.061	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.3	169.8	-62.9	-170.9	-175.1	0	0	109.7	T580 S582 R584 C590 C591 V593	T580-E628 CarbonylContact O-C 3.55Å; T580-E628 VanDerWaalsContact O-CA 3.26Å; T580-E628 WeakPolarHBondContact O-CA 3.48Å; S582-E628 WeakPolarHBondContact CB-OE2 3.26Å; S582-E628 PolarHBondContact OG-OE2 3.15Å; R584-E628 IonicContact CZ-OE1 2.67Å; R584-E628 IonicContact CZ-OE2 2.95Å; R584-E628 IonicContact NE-OE1 2.78Å; R584-E628 PolarHBondContact NE-OE1 3.4Å; R584-E628 IonicContact NE-OE2 3.71Å; R584-E628 PolarHBondContact NE-OE2 2.93Å; R584-E628 IonicContact NH2-OE1 3.43Å; R584-E628 PolarHBondContact NH2-OE1 2.85Å; R584-E628 IonicContact NH2-OE2 3Å; C590-E628 CarbonylContact C-O 3.55Å; C590-E628 WeakPolarHBondContact CA-O 3.4Å; C590-E628 WeakPolarHBondContact CB-O 3.45Å; C591-E628 PolarHBondContact N-O 3.08Å; C591-E628 PolarHBondContact O-N 3.11Å; V593-E628 HydrophobicContact CG1-CG 4.19Å; V593-E628 HydrophobicContact CG2-CG 4.03Å
629	I	95.8	Very high	89.4	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	145.9	-179.6	65	170.1	0	0	0	111.6	L564 C565 I568 V579 T580 V581 S582 C590 L627 I636	L564-I629 HydrophobicContact CD2-CD1 3.94Å; L564-I629 HydrophobicContact CG-CD1 4.46Å; C565-I629 VanDerWaalsContact SG-CD1 3.58Å; I568-I629 HydrophobicContact CD1-CG2 4.4Å; V579-I629 HydrophobicContact CG1-CG2 4.25Å; T580-I629 WeakPolarHBondContact O-CG1 3.34Å; T580-I629 PolarHBondContact O-N 2.91Å; V581-I629 HydrophobicContact CG2-CD1 4.47Å; V581-I629 HydrophobicContact CG2-CG1 4.32Å; S582-I629 WeakPolarHBondContact CB-O 3.28Å; S582-I629 PolarHBondContact N-O 3.04Å; C590-I629 HydrophobicContact CB-CG2 4.14Å; L627-I629 HydrophobicContact CD2-CG2 4.4Å; L627-I629 HydrophobicContact CG-CG2 4.35Å; I629-I636 HydrophobicContact CB-CD1 4.29Å; I629-I636 HydrophobicContact CB-CG2 4.43Å; I629-I636 HydrophobicContact CD1-CG2 4.07Å; I629-I636 HydrophobicContact CG2-CD1 4.41Å
630	N	95.1	Very high	90.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.021	26%	0.255	C	S	.	.			trans	-95.1	109.3	177.7	-179.3	-3.2	0	0	0	110.6	L585 V586 S588 P589 D632 N633 I636	L585-N630 HydrophobicContact CB-CB 3.89Å; L585-N630 HydrophobicContact CD1-CB 4.11Å; V586-N630 PolarHBondContact O-ND2 2.81Å; S588-N630 WeakPolarHBondContact O-CB 3.34Å; S588-N630 PolarHBondContact O-ND2 3.2Å; P589-N630 WeakPolarHBondContact O-CB 3.3Å; P589-N630 PolarHBondContact O-N 3.22Å; N630-D632 PolarHBondContact O-N 2.64Å; N630-D632 PolarHBondContact OD1-N 3.06Å; N630-D632 VanDerWaalsContact OD1-N 3.1Å; N630-N633 HydrophobicContact CB-CB 4.03Å; N630-N633 PolarHBondContact O-N 3.09Å; N630-I636 VanDerWaalsContact O-CB 3.29Å; N630-I636 WeakPolarHBondContact O-CB 3.44Å; N630-I636 VanDerWaalsContact O-CG1 3.3Å; N630-I636 WeakPolarHBondContact O-CG1 3.43Å
631	P	93.6	Very high	91.3	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.071	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24	-175.2	29.6	-33.9	0	0	0	112.7	D557 Y561 V581	D557-P631 HydrophobicContact CB-CB 4.06Å; D557-P631 HydrophobicContact CB-CG 4.09Å; Y561-P631 HydrophobicContact CD2-CB 3.8Å; Y561-P631 HydrophobicContact CE2-CB 3.44Å; Y561-P631 VanDerWaalsContact CE2-CB 3.44Å; Y561-P631 PolarHBondContact OH-O 3.28Å; V581-P631 HydrophobicContact CG1-CB 4.2Å; V581-P631 HydrophobicContact CG1-CG 3.67Å
632	D	92.6	Very high	91.7	Very high	109 Å²	109	46.4 Å²	46.4	58%	0.583	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-8.5	-179.7	-68.4	-36.4	0	0	0	112.5	K553 N630	K553-D632 VanDerWaalsContact NZ-CG 3.28Å; K553-D632 IonicContact NZ-OD1 3.08Å; K553-D632 PolarHBondContact NZ-OD1 3.12Å; K553-D632 IonicContact NZ-OD2 3.82Å; K553-D632 PolarHBondContact NZ-OD2 3.41Å; N630-D632 PolarHBondContact O-N 2.64Å; N630-D632 PolarHBondContact OD1-N 3.06Å; N630-D632 VanDerWaalsContact OD1-N 3.1Å
633	N	94.9	Very high	92.1	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	22%	0.221	C	C	.	.	S	Bend	trans	-79.5	131.4	179.9	-172.1	-71.9	0	0	0	111.5	N587 P589 N630 I635 I636 G637	N587-N633 PolarHBondContact O-ND2 3.32Å; P589-N633 HydrophobicContact CB-CB 4.37Å; N630-N633 HydrophobicContact CB-CB 4.03Å; N630-N633 PolarHBondContact O-N 3.09Å; N633-I635 PolarHBondContact O-N 3.24Å; N633-I635 VanDerWaalsContact O-N 3.16Å; N633-I635 WeakPolarHBondContact OD1-CB 3.47Å; N633-I635 PolarHBondContact OD1-N 3.11Å; N633-I636 HydrophobicContact CB-CG1 4.19Å; N633-I636 PolarHBondContact O-N 3.01Å; N633-G637 PolarHBondContact O-N 3.37Å; N633-G637 VanDerWaalsContact O-N 3.1Å
634	P	94.8	Very high	92.4	Very high	105 Å²	105	47.2 Å²	47.2	68%	0.682	25%	0.25	S	C	*	.	H	α-helix	trans	-55.8	-34.1	-178.7	-27.6	35	0	0	0	114.8	I636 G637 E638	P634-I636 VanDerWaalsContact C-N 3.35Å; P634-G637 PolarHBondContact O-N 3.38Å; P634-E638 WeakPolarHBondContact O-CB 3.48Å; P634-E638 PolarHBondContact O-N 3.16Å
635	I	93.9	Very high	92.5	Very high	83 Å²	83	50 Å²	50	43%	0.426	26%	0.256	S	S	.	.	H	α-helix	trans	-64.5	-42.7	178.8	-59.9	172.8	0	0	0	110.2	P589 N633 E638 L639 L659	P589-I635 HydrophobicContact CB-CB 4.46Å; P589-I635 HydrophobicContact CB-CD1 4.46Å; P589-I635 HydrophobicContact CG-CD1 4.49Å; N633-I635 PolarHBondContact O-N 3.24Å; N633-I635 VanDerWaalsContact O-N 3.16Å; N633-I635 WeakPolarHBondContact OD1-CB 3.47Å; N633-I635 PolarHBondContact OD1-N 3.11Å; I635-E638 PolarHBondContact O-N 2.71Å; I635-L639 HydrophobicContact CG2-CD1 4.23Å; I635-L639 WeakPolarHBondContact O-CB 3.3Å; I635-L639 VanDerWaalsContact O-CG 3.29Å; I635-L639 WeakPolarHBondContact O-CG 3.35Å; I635-L639 PolarHBondContact O-N 2.85Å; I635-L659 HydrophobicContact CG2-CD1 3.93Å; I635-L659 HydrophobicContact CG2-CD2 4.34Å
636	I	94.6	Very high	92.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-69.5	-36.4	179.1	-58.6	-57.3	0	0	0	110.8	Y561 L564 P589 I629 N630 N633 P634 L639 R640	Y561-I636 HydrophobicContact CD1-CG2 4.01Å; Y561-I636 HydrophobicContact CE1-CG2 3.77Å; L564-I636 HydrophobicContact CD2-CG2 3.77Å; P589-I636 HydrophobicContact CB-CD1 4.22Å; P589-I636 HydrophobicContact CB-CG1 4.17Å; P589-I636 WeakPolarHBondContact O-CD1 3.16Å; P589-I636 VanDerWaalsContact O-CG1 3.31Å; P589-I636 WeakPolarHBondContact O-CG1 3.27Å; I629-I636 HydrophobicContact CB-CD1 4.29Å; I629-I636 HydrophobicContact CB-CG2 4.43Å; I629-I636 HydrophobicContact CD1-CG2 4.07Å; I629-I636 HydrophobicContact CG2-CD1 4.41Å; N630-I636 VanDerWaalsContact O-CB 3.29Å; N630-I636 WeakPolarHBondContact O-CB 3.44Å; N630-I636 VanDerWaalsContact O-CG1 3.3Å; N630-I636 WeakPolarHBondContact O-CG1 3.43Å; N633-I636 HydrophobicContact CB-CG1 4.19Å; N633-I636 PolarHBondContact O-N 3.01Å; P634-I636 VanDerWaalsContact C-N 3.35Å; I636-L639 HydrophobicContact CD1-CD1 4.26Å; I636-R640 PolarHBondContact O-N 3.33Å; I636-R640 VanDerWaalsContact O-N 3.15Å
637	G	93.2	Very high	91.4	Very high	22 Å²	22	56.6 Å²	56.6	23%	0.227	29%	0.289	C	S	.	.	H	α-helix	trans	-59.8	-50.5	171.6	0	0	0	0	0	112.7	N633 P634 R640 E641	N633-G637 PolarHBondContact O-N 3.37Å; N633-G637 VanDerWaalsContact O-N 3.1Å; P634-G637 PolarHBondContact O-N 3.38Å; G637-R640 WeakPolarHBondContact O-CB 3.49Å; G637-R640 PolarHBondContact O-N 3.35Å; G637-E641 PolarHBondContact O-N 3.26Å
638	E	92.8	Very high	90.6	Very high	76 Å²	76	61.9 Å²	61.9	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-63.4	-41.4	178.4	178.8	63.5	-162.3	0	0	112.1	P634 I635 R640 E641 R642	P634-E638 WeakPolarHBondContact O-CB 3.48Å; P634-E638 PolarHBondContact O-N 3.16Å; I635-E638 PolarHBondContact O-N 2.71Å; E638-R640 VanDerWaalsContact C-N 3.29Å; E638-R640 PolarHBondContact O-N 3.26Å; E638-E641 PolarHBondContact O-N 3.43Å; E638-R642 WeakPolarHBondContact O-CG 3.36Å; E638-R642 PolarHBondContact O-N 3.08Å; E638-R642 IonicContact OE1-CZ 3.82Å; E638-R642 IonicContact OE1-NE 2.69Å; E638-R642 PolarHBondContact OE1-NE 3.18Å; E638-R642 IonicContact OE1-NH2 3.32Å; E638-R642 PolarHBondContact OE1-NH2 3.15Å
639	L	92	Very high	89.8	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.031	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-41.1	175.9	-78.1	172.5	0	0	0	112.2	L564 I635 I636 R642 I643 V652 V656 L659	L564-L639 HydrophobicContact CD1-CB 4.19Å; I635-L639 HydrophobicContact CG2-CD1 4.23Å; I635-L639 WeakPolarHBondContact O-CB 3.3Å; I635-L639 VanDerWaalsContact O-CG 3.29Å; I635-L639 WeakPolarHBondContact O-CG 3.35Å; I635-L639 PolarHBondContact O-N 2.85Å; I636-L639 HydrophobicContact CD1-CD1 4.26Å; L639-R642 PolarHBondContact O-N 3.02Å; L639-I643 WeakPolarHBondContact O-CB 3.45Å; L639-I643 VanDerWaalsContact O-CG1 3.31Å; L639-I643 WeakPolarHBondContact O-CG1 3.28Å; L639-I643 PolarHBondContact O-N 3.24Å; L639-V652 HydrophobicContact CD2-CG1 4.14Å; L639-V656 HydrophobicContact CD2-CG2 4.35Å; L639-L659 HydrophobicContact CD1-CD1 3.5Å; L639-L659 VanDerWaalsContact CD1-CD1 3.5Å
640	R	92.4	Very high	88.9	Confident	99 Å²	99	71.3 Å²	71.3	37%	0.374	36%	0.36	S	S	.	.	H	α-helix	trans	-61.9	-44.2	175.5	-177.8	177	173.9	-109.8	-3.3	111.6	K560 Y561 L564 I636 G637 E638 G644	K560-R640 VanDerWaalsContact CG-NH2 3.32Å; K560-R640 PolarHBondContact O-NE 2.97Å; K560-R640 PolarHBondContact O-NH2 2.97Å; Y561-R640 HydrophobicContact CD1-CB 4.36Å; Y561-R640 HydrophobicContact CD1-CG 4.47Å; Y561-R640 HydrophobicContact CE1-CB 4.15Å; Y561-R640 HydrophobicContact CE1-CG 4.47Å; L564-R640 HydrophobicContact CD2-CB 4.26Å; I636-R640 PolarHBondContact O-N 3.33Å; I636-R640 VanDerWaalsContact O-N 3.15Å; G637-R640 WeakPolarHBondContact O-CB 3.49Å; G637-R640 PolarHBondContact O-N 3.35Å; E638-R640 VanDerWaalsContact C-N 3.29Å; E638-R640 PolarHBondContact O-N 3.26Å; R640-G644 PolarHBondContact O-N 3.19Å
641	E	91.5	Very high	88.2	Confident	105 Å²	105	74.8 Å²	74.8	49%	0.491	38%	0.381	S	S	.	.	H	α-helix	trans	-64.4	-43.8	178.1	-70.6	-165	-171.1	0	0	112.5	G637 E638 G644 R645	G637-E641 PolarHBondContact O-N 3.26Å; E638-E641 PolarHBondContact O-N 3.43Å; E641-G644 PolarHBondContact O-N 3.48Å; E641-R645 WeakPolarHBondContact O-CG 3.44Å; E641-R645 PolarHBondContact O-N 3.33Å; E641-R645 VanDerWaalsContact O-N 3.12Å; E641-R645 IonicContact OE2-NH2 2.74Å; E641-R645 PolarHBondContact OE2-NH2 2.99Å
642	R	89.7	Confident	87.8	Confident	85 Å²	85	74.4 Å²	74.4	32%	0.321	38%	0.379	S	S	.	.	H	α-helix	trans	-63.2	-44	179	-70.3	-172.7	-176.8	-152.5	3	112.2	E638 L639 G644 R645 D646 V652	E638-R642 WeakPolarHBondContact O-CG 3.36Å; E638-R642 PolarHBondContact O-N 3.08Å; E638-R642 IonicContact OE1-CZ 3.82Å; E638-R642 IonicContact OE1-NE 2.69Å; E638-R642 PolarHBondContact OE1-NE 3.18Å; E638-R642 IonicContact OE1-NH2 3.32Å; E638-R642 PolarHBondContact OE1-NH2 3.15Å; L639-R642 PolarHBondContact O-N 3.02Å; R642-G644 PolarHBondContact O-N 3.17Å; R642-R645 PolarHBondContact O-N 3.13Å; R642-D646 PolarHBondContact O-N 2.7Å; R642-V652 HydrophobicContact CB-CG2 3.7Å
643	I	85.8	Confident	87.4	Confident	5 Å²	5	73.3 Å²	73.3	3%	0.026	37%	0.369	C	S	.	.	H	α-helix	trans	-64.2	-33.5	175.8	-69.8	172.8	0	0	0	111.4	L564 V567 L639 R645 D646 K647 V652	L564-I643 HydrophobicContact CD1-CD1 3.22Å; L564-I643 HydrophobicContact CD1-CG1 4.48Å; V567-I643 HydrophobicContact CB-CD1 4.15Å; V567-I643 HydrophobicContact CB-CG2 4.27Å; V567-I643 HydrophobicContact CG1-CD1 3.78Å; V567-I643 HydrophobicContact CG1-CG1 4.34Å; V567-I643 HydrophobicContact CG1-CG2 4.23Å; V567-I643 HydrophobicContact CG2-CG2 3.88Å; L639-I643 WeakPolarHBondContact O-CB 3.45Å; L639-I643 VanDerWaalsContact O-CG1 3.31Å; L639-I643 WeakPolarHBondContact O-CG1 3.28Å; L639-I643 PolarHBondContact O-N 3.24Å; I643-R645 VanDerWaalsContact C-N 3.26Å; I643-R645 PolarHBondContact O-N 2.88Å; I643-D646 CarbonylContact O-C 3.59Å; I643-K647 HydrophobicContact CG2-CG 4.23Å; I643-K647 WeakPolarHBondContact O-CG 3.3Å; I643-V652 HydrophobicContact CD1-CG1 3.97Å; I643-V652 HydrophobicContact CG1-CG1 3.76Å
644	G	84.4	Confident	86.9	Confident	63 Å²	63	76.2 Å²	76.2	65%	0.649	39%	0.385	S	S	*	.	H	α-helix	trans	-65.6	-26.4	172.5	0	0	0	0	0	113.8	R640 E641 R642	R640-G644 PolarHBondContact O-N 3.19Å; E641-G644 PolarHBondContact O-N 3.48Å; R642-G644 PolarHBondContact O-N 3.17Å
645	R	88.1	Confident	86.6	Confident	182 Å²	182	74 Å²	74	69%	0.687	37%	0.367	S	S	*	.	H	α-helix	trans	-86.2	-47.1	176	-65.1	176	-163	158.1	10.7	112	E641 R642 I643	E641-R645 WeakPolarHBondContact O-CG 3.44Å; E641-R645 PolarHBondContact O-N 3.33Å; E641-R645 VanDerWaalsContact O-N 3.12Å; E641-R645 IonicContact OE2-NH2 2.74Å; E641-R645 PolarHBondContact OE2-NH2 2.99Å; R642-R645 PolarHBondContact O-N 3.13Å; I643-R645 VanDerWaalsContact C-N 3.26Å; I643-R645 PolarHBondContact O-N 2.88Å
646	D	85.3	Confident	86.5	Confident	81 Å²	81	70.3 Å²	70.3	43%	0.433	35%	0.348	S	S	.	.			trans	-148.5	112.7	177.8	-175.8	5	0	0	0	111.2	R642 I643 N648 D649	R642-D646 PolarHBondContact O-N 2.7Å; I643-D646 CarbonylContact O-C 3.59Å; D646-N648 PolarHBondContact O-N 3.02Å; D646-N648 PolarHBondContact OD1-N 2.92Å; D646-D649 HydrophobicContact CB-CB 4.37Å; D646-D649 PolarHBondContact O-N 2.66Å
647	K	77.4	Confident	86.3	Confident	112 Å²	112	71.7 Å²	71.7	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-18.2	177.4	-65.3	-174.1	176.7	-172.5	0	113.3	E563 I643	E563-K647 WeakPolarHBondContact OE1-CE 3.41Å; E563-K647 IonicContact OE1-NZ 3.59Å; E563-K647 PolarHBondContact OE1-NZ 2.89Å; I643-K647 HydrophobicContact CG2-CG 4.23Å; I643-K647 WeakPolarHBondContact O-CG 3.3Å
648	N	79.2	Confident	86.2	Confident	116 Å²	116	71.9 Å²	71.9	62%	0.62	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.6	12.7	-175.8	-70.3	-47.8	0	0	0	113.4	D646 K650	D646-N648 PolarHBondContact O-N 3.02Å; D646-N648 PolarHBondContact OD1-N 2.92Å; N648-K650 PolarHBondContact O-N 2.94Å
649	D	78.8	Confident	86.2	Confident	41 Å²	41	69.6 Å²	69.6	22%	0.219	34%	0.341	C	S	.	.			trans	-56.8	112.4	176.5	-176.4	-15.8	0	0	0	110.4	D646 T651 V652 K653	D646-D649 HydrophobicContact CB-CB 4.37Å; D646-D649 PolarHBondContact O-N 2.66Å; D649-T651 VanDerWaalsContact C-N 3.26Å; D649-T651 PolarHBondContact O-N 2.94Å; D649-T651 WeakPolarHBondContact OD1-CA 3.4Å; D649-T651 VanDerWaalsContact OD1-CB 3.26Å; D649-T651 WeakPolarHBondContact OD1-CB 3.48Å; D649-T651 PolarHBondContact OD1-N 3.36Å; D649-V652 HydrophobicContact CB-CB 4Å; D649-V652 HydrophobicContact CB-CG2 3.74Å; D649-V652 WeakPolarHBondContact O-CB 3.33Å; D649-V652 PolarHBondContact O-N 3.37Å; D649-V652 VanDerWaalsContact O-N 3.14Å; D649-V652 PolarHBondContact OD1-N 3.41Å; D649-V652 WeakPolarHBondContact OD2-CG2 3.18Å; D649-K653 PolarHBondContact O-N 2.99Å
650	K	77.5	Confident	86.3	Confident	170 Å²	170	69.7 Å²	69.7	74%	0.739	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-36.5	-179.9	-71.5	-174.5	177.1	-176.7	0	111.7	N648 V652 K653 D654	N648-K650 PolarHBondContact O-N 2.94Å; K650-V652 VanDerWaalsContact C-N 3.3Å; K650-V652 PolarHBondContact O-N 2.72Å; K650-K653 PolarHBondContact O-N 3.45Å; K650-D654 PolarHBondContact O-N 2.94Å; K650-D654 VanDerWaalsContact O-N 3.11Å
651	T	80.4	Confident	86.4	Confident	77 Å²	77	65.8 Å²	65.8	47%	0.472	33%	0.327	S	S	.	.	H	α-helix	trans	-65.1	-37.5	177.4	-54.7	0	0	0	0	110.7	D649 D654 L655	D649-T651 VanDerWaalsContact C-N 3.26Å; D649-T651 PolarHBondContact O-N 2.94Å; D649-T651 WeakPolarHBondContact OD1-CA 3.4Å; D649-T651 VanDerWaalsContact OD1-CB 3.26Å; D649-T651 WeakPolarHBondContact OD1-CB 3.48Å; D649-T651 PolarHBondContact OD1-N 3.36Å; T651-D654 PolarHBondContact O-N 3.05Å; T651-L655 HydrophobicContact CG2-CD1 4.15Å; T651-L655 HydrophobicContact CG2-CG 4.48Å; T651-L655 WeakPolarHBondContact O-CB 3.32Å; T651-L655 VanDerWaalsContact O-CG 3.24Å; T651-L655 WeakPolarHBondContact O-CG 3.49Å; T651-L655 PolarHBondContact O-N 2.9Å
652	V	84	Confident	86.4	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-42.6	174	170.9	0	0	0	0	111.2	L639 R642 I643 D649 K650 D654 L655 V656	L639-V652 HydrophobicContact CD2-CG1 4.14Å; R642-V652 HydrophobicContact CB-CG2 3.7Å; I643-V652 HydrophobicContact CD1-CG1 3.97Å; I643-V652 HydrophobicContact CG1-CG1 3.76Å; D649-V652 HydrophobicContact CB-CB 4Å; D649-V652 HydrophobicContact CB-CG2 3.74Å; D649-V652 WeakPolarHBondContact O-CB 3.33Å; D649-V652 PolarHBondContact O-N 3.37Å; D649-V652 VanDerWaalsContact O-N 3.14Å; D649-V652 PolarHBondContact OD1-N 3.41Å; D649-V652 WeakPolarHBondContact OD2-CG2 3.18Å; K650-V652 VanDerWaalsContact C-N 3.3Å; K650-V652 PolarHBondContact O-N 2.72Å; V652-D654 PolarHBondContact O-N 2.78Å; V652-L655 PolarHBondContact O-N 2.79Å; V652-V656 HydrophobicContact CG1-CG2 4.21Å; V652-V656 WeakPolarHBondContact O-CB 3.3Å; V652-V656 VanDerWaalsContact O-CG2 3.29Å; V652-V656 WeakPolarHBondContact O-CG2 3.48Å; V652-V656 PolarHBondContact O-N 3.24Å
653	K	85	Confident	86.6	Confident	85 Å²	85	60 Å²	60	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-58.9	-47.2	177	-65.1	-172.2	178.6	-178.6	0	111.8	I571 D649 K650 L655 V656 I657	I571-K653 HydrophobicContact CD1-CG 4.03Å; I571-K653 HydrophobicContact CG1-CG 4.1Å; I571-K653 HydrophobicContact CG2-CB 4.48Å; D649-K653 PolarHBondContact O-N 2.99Å; K650-K653 PolarHBondContact O-N 3.45Å; K653-L655 PolarHBondContact O-N 2.77Å; K653-V656 PolarHBondContact O-N 2.82Å; K653-I657 VanDerWaalsContact O-CG1 3.31Å; K653-I657 WeakPolarHBondContact O-CG1 3.28Å; K653-I657 PolarHBondContact O-N 2.81Å
654	D	83.3	Confident	86.9	Confident	82 Å²	82	60.6 Å²	60.6	44%	0.439	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-40.5	178.3	-76.2	-33.1	0	0	0	112.6	K650 T651 V652 I657 L658	K650-D654 PolarHBondContact O-N 2.94Å; K650-D654 VanDerWaalsContact O-N 3.11Å; T651-D654 PolarHBondContact O-N 3.05Å; V652-D654 PolarHBondContact O-N 2.78Å; D654-I657 PolarHBondContact O-N 2.84Å; D654-L658 WeakPolarHBondContact O-CB 3.27Å; D654-L658 PolarHBondContact O-N 2.94Å
655	L	88.7	Confident	87.2	Confident	58 Å²	58	62.7 Å²	62.7	30%	0.304	31%	0.308	S	S	.	.	H	α-helix	trans	-65.7	-39.7	176.5	-71.5	172.7	0	0	0	112.3	T651 V652 K653 L658 L659	T651-L655 HydrophobicContact CG2-CD1 4.15Å; T651-L655 HydrophobicContact CG2-CG 4.48Å; T651-L655 WeakPolarHBondContact O-CB 3.32Å; T651-L655 VanDerWaalsContact O-CG 3.24Å; T651-L655 WeakPolarHBondContact O-CG 3.49Å; T651-L655 PolarHBondContact O-N 2.9Å; V652-L655 PolarHBondContact O-N 2.79Å; K653-L655 PolarHBondContact O-N 2.77Å; L655-L658 PolarHBondContact O-N 2.83Å; L655-L659 WeakPolarHBondContact O-CB 3.33Å; L655-L659 VanDerWaalsContact O-CG 3.32Å; L655-L659 WeakPolarHBondContact O-CG 3.47Å; L655-L659 PolarHBondContact O-N 3.31Å
656	V	91.6	Very high	87.4	Confident	5 Å²	5	57.2 Å²	57.2	3%	0.03	30%	0.297	C	S	.	.	H	α-helix	trans	-64.1	-44.1	176.1	168	0	0	0	0	110.8	I568 I571 L572 L639 V652 K653 L658 L659 F660	I568-V656 HydrophobicContact CB-CG1 4.34Å; I568-V656 HydrophobicContact CG1-CG1 4.15Å; I568-V656 HydrophobicContact CG1-CG2 4.15Å; I568-V656 HydrophobicContact CG2-CG1 3.82Å; I571-V656 HydrophobicContact CB-CG1 4.22Å; I571-V656 HydrophobicContact CD1-CB 4.24Å; I571-V656 HydrophobicContact CD1-CG1 4.25Å; I571-V656 HydrophobicContact CD1-CG2 4.12Å; I571-V656 HydrophobicContact CG2-CB 4.24Å; I571-V656 HydrophobicContact CG2-CG1 3.86Å; L572-V656 HydrophobicContact CD1-CG1 4.49Å; L572-V656 HydrophobicContact CD2-CG1 4.26Å; L572-V656 HydrophobicContact CG-CG1 4.18Å; L639-V656 HydrophobicContact CD2-CG2 4.35Å; V652-V656 HydrophobicContact CG1-CG2 4.21Å; V652-V656 WeakPolarHBondContact O-CB 3.3Å; V652-V656 VanDerWaalsContact O-CG2 3.29Å; V652-V656 WeakPolarHBondContact O-CG2 3.48Å; V652-V656 PolarHBondContact O-N 3.24Å; K653-V656 PolarHBondContact O-N 2.82Å; V656-L658 VanDerWaalsContact C-N 3.35Å; V656-L659 PolarHBondContact O-N 3.38Å; V656-F660 WeakPolarHBondContact O-CB 3.16Å; V656-F660 PolarHBondContact O-N 3Å
657	I	90.5	Very high	87.7	Confident	32 Å²	32	53.9 Å²	53.9	16%	0.164	28%	0.28	C	S	.	.	H	α-helix	trans	-63.6	-42.7	177.2	-64.8	165.8	0	0	0	110.7	I571 L572 K653 D654 F660 E661 R680	I571-I657 HydrophobicContact CG2-CG1 4.06Å; L572-I657 HydrophobicContact CD2-CG1 4.47Å; K653-I657 VanDerWaalsContact O-CG1 3.31Å; K653-I657 WeakPolarHBondContact O-CG1 3.28Å; K653-I657 PolarHBondContact O-N 2.81Å; D654-I657 PolarHBondContact O-N 2.84Å; I657-F660 WeakPolarHBondContact O-CB 3.25Å; I657-F660 PolarHBondContact O-N 2.84Å; I657-E661 HydrophobicContact CG2-CG 4.44Å; I657-E661 WeakPolarHBondContact CG2-OE1 3.47Å; I657-E661 WeakPolarHBondContact O-CG 3.4Å; I657-E661 PolarHBondContact O-N 2.83Å; I657-R680 VanDerWaalsContact CG2-CZ 3.46Å
658	L	91.7	Very high	88.2	Confident	25 Å²	25	50.4 Å²	50.4	13%	0.131	28%	0.276	C	S	.	.	H	α-helix	trans	-60.7	-47.4	175.6	176.5	75.9	0	0	0	112.2	D654 L655 V656 F660 E661 T662 I681 M684	D654-L658 WeakPolarHBondContact O-CB 3.27Å; D654-L658 PolarHBondContact O-N 2.94Å; L655-L658 PolarHBondContact O-N 2.83Å; V656-L658 VanDerWaalsContact C-N 3.35Å; L658-F660 VanDerWaalsContact C-N 3.26Å; L658-F660 PolarHBondContact O-N 3.19Å; L658-E661 PolarHBondContact O-N 2.98Å; L658-T662 WeakPolarHBondContact O-CB 3.29Å; L658-T662 PolarHBondContact O-N 2.95Å; L658-T662 PolarHBondContact O-OG1 2.8Å; L658-I681 HydrophobicContact CD1-CG1 4.38Å; L658-M684 HydrophobicContact CD1-CE 3.44Å; L658-M684 VanDerWaalsContact CD1-CE 3.44Å; L658-M684 HydrophobicContact CD1-SD 4.49Å; L658-M684 HydrophobicContact CD2-CE 3.32Å; L658-M684 HydrophobicContact CD2-SD 3.36Å; L658-M684 WeakPolarHBondContact CD2-SD 3.14Å; L658-M684 HydrophobicContact CG-CE 3.95Å; L658-M684 HydrophobicContact CG-SD 4.44Å
659	L	93.4	Very high	88.7	Confident	29 Å²	29	45.3 Å²	45.3	15%	0.152	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-40.6	178.1	-78	170.5	0	0	0	111	P589 I635 L639 L655 V656 S663	P589-L659 HydrophobicContact CB-CD2 4.44Å; P589-L659 HydrophobicContact CG-CD2 4.02Å; I635-L659 HydrophobicContact CG2-CD1 3.93Å; I635-L659 HydrophobicContact CG2-CD2 4.34Å; L639-L659 HydrophobicContact CD1-CD1 3.5Å; L639-L659 VanDerWaalsContact CD1-CD1 3.5Å; L655-L659 WeakPolarHBondContact O-CB 3.33Å; L655-L659 VanDerWaalsContact O-CG 3.32Å; L655-L659 WeakPolarHBondContact O-CG 3.47Å; L655-L659 PolarHBondContact O-N 3.31Å; V656-L659 PolarHBondContact O-N 3.38Å; L659-S663 VanDerWaalsContact O-CB 3.24Å; L659-S663 WeakPolarHBondContact O-CB 3.39Å; L659-S663 PolarHBondContact O-N 3.34Å; L659-S663 PolarHBondContact O-OG 2.94Å
660	F	94.3	Very high	89	Confident	8 Å²	8	46.6 Å²	46.6	4%	0.035	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-51.5	175	169.9	-103.6	0	0	0	112.3	L572 K575 V576 I592 V656 I657 L658 T662 S663 L664	L572-F660 HydrophobicContact CD1-CB 3.93Å; L572-F660 HydrophobicContact CD1-CD2 3.74Å; L572-F660 HydrophobicContact CD1-CG 3.91Å; L572-F660 HydrophobicContact CD2-CB 3.66Å; L572-F660 HydrophobicContact CD2-CD1 3.95Å; L572-F660 HydrophobicContact CD2-CD2 4.3Å; L572-F660 HydrophobicContact CD2-CG 3.69Å; L572-F660 HydrophobicContact CG-CB 4.48Å; L572-F660 HydrophobicContact CG-CG 4.45Å; K575-F660 HydrophobicContact CB-CE1 3.89Å; K575-F660 HydrophobicContact CB-CE2 4.48Å; K575-F660 HydrophobicContact CB-CZ 3.72Å; K575-F660 HydrophobicContact CD-CD1 4.28Å; K575-F660 HydrophobicContact CD-CE1 3.76Å; K575-F660 HydrophobicContact CD-CZ 4.46Å; K575-F660 HydrophobicContact CG-CE1 4.4Å; V576-F660 HydrophobicContact CG1-CD2 3.83Å; V576-F660 HydrophobicContact CG1-CE2 3.25Å; V576-F660 HydrophobicContact CG1-CZ 4.09Å; I592-F660 HydrophobicContact CD1-CD2 3.64Å; I592-F660 HydrophobicContact CD1-CE2 3.58Å; I592-F660 HydrophobicContact CG1-CE2 4.43Å; V656-F660 WeakPolarHBondContact O-CB 3.16Å; V656-F660 PolarHBondContact O-N 3Å; I657-F660 WeakPolarHBondContact O-CB 3.25Å; I657-F660 PolarHBondContact O-N 2.84Å; L658-F660 VanDerWaalsContact C-N 3.26Å; L658-F660 PolarHBondContact O-N 3.19Å; F660-T662 PolarHBondContact O-N 2.9Å; F660-S663 CarbonylContact O-C 3.4Å; F660-S663 WeakPolarHBondContact O-CB 3.45Å; F660-S663 PolarHBondContact O-N 2.72Å; F660-S663 VanDerWaalsContact O-N 3.13Å; F660-L664 HydrophobicContact CD1-CD1 4.06Å; F660-L664 HydrophobicContact CE1-CD1 3.35Å; F660-L664 HydrophobicContact CE1-CG 4.06Å; F660-L664 HydrophobicContact CE2-CD1 4.21Å; F660-L664 HydrophobicContact CE2-CD2 4.25Å; F660-L664 HydrophobicContact CE2-CG 4.05Å; F660-L664 HydrophobicContact CZ-CD1 3.44Å; F660-L664 VanDerWaalsContact CZ-CD1 3.44Å; F660-L664 HydrophobicContact CZ-CD2 4.02Å; F660-L664 HydrophobicContact CZ-CG 3.77Å; F660-L664 PolarHBondContact O-N 2.82Å
661	E	93.1	Very high	89.5	Confident	16 Å²	16	40.2 Å²	40.2	8%	0.075	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-38.2	-179.5	-70.7	170.4	-178	0	0	112.5	I657 L658 S663 L664 L665 L671 H677 R680	I657-E661 HydrophobicContact CG2-CG 4.44Å; I657-E661 WeakPolarHBondContact CG2-OE1 3.47Å; I657-E661 WeakPolarHBondContact O-CG 3.4Å; I657-E661 PolarHBondContact O-N 2.83Å; L658-E661 PolarHBondContact O-N 2.98Å; E661-S663 VanDerWaalsContact C-N 3.29Å; E661-S663 PolarHBondContact O-N 3.15Å; E661-L664 WeakPolarHBondContact O-CB 3.48Å; E661-L664 PolarHBondContact O-N 3.23Å; E661-L665 PolarHBondContact O-N 3.09Å; E661-L665 VanDerWaalsContact O-N 3.12Å; E661-L671 HydrophobicContact CB-CD2 4.14Å; E661-H677 WeakPolarHBondContact CB-ND1 3.34Å; E661-H677 IonicContact OE2-CE1 2.9Å; E661-H677 IonicContact OE2-CG 2.97Å; E661-H677 IonicContact OE2-ND1 3.3Å; E661-H677 PolarHBondContact OE2-ND1 3.03Å; E661-R680 IonicContact OE1-CZ 3.93Å; E661-R680 IonicContact OE1-NH1 3.16Å; E661-R680 PolarHBondContact OE1-NH1 2.81Å; E661-R680 IonicContact OE1-NH2 2.66Å; E661-R680 IonicContact OE2-CZ 2.69Å; E661-R680 IonicContact OE2-NH1 2.65Å; E661-R680 PolarHBondContact OE2-NH1 2.82Å
662	T	93.2	Very high	89.8	Confident	65 Å²	65	44.2 Å²	44.2	40%	0.399	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-37.2	173.8	-51.8	0	0	0	0	111	L658 F660 L665 S666	L658-T662 WeakPolarHBondContact O-CB 3.29Å; L658-T662 PolarHBondContact O-N 2.95Å; L658-T662 PolarHBondContact O-OG1 2.8Å; F660-T662 PolarHBondContact O-N 2.9Å; T662-L665 PolarHBondContact O-N 3.07Å; T662-S666 WeakPolarHBondContact O-CB 3.44Å; T662-S666 PolarHBondContact O-N 2.92Å; T662-S666 PolarHBondContact O-OG 2.9Å
663	S	93	Very high	90	Very high	5 Å²	5	49.1 Å²	49.1	4%	0.035	27%	0.271	C	S	.	.	H	α-helix	trans	-69.6	-36	175.2	-61.2	0	0	0	0	112.4	C590 L659 F660 E661 S666 S667	C590-S663 PolarHBondContact O-OG 3.02Å; C590-S663 PolarHBondContact SG-OG 3.04Å; L659-S663 VanDerWaalsContact O-CB 3.24Å; L659-S663 WeakPolarHBondContact O-CB 3.39Å; L659-S663 PolarHBondContact O-N 3.34Å; L659-S663 PolarHBondContact O-OG 2.94Å; F660-S663 CarbonylContact O-C 3.4Å; F660-S663 WeakPolarHBondContact O-CB 3.45Å; F660-S663 PolarHBondContact O-N 2.72Å; F660-S663 VanDerWaalsContact O-N 3.13Å; E661-S663 VanDerWaalsContact C-N 3.29Å; E661-S663 PolarHBondContact O-N 3.15Å; S663-S666 WeakPolarHBondContact CA-OG 3.46Å; S663-S666 PolarHBondContact O-OG 2.81Å; S663-S667 WeakPolarHBondContact O-CB 3.35Å; S663-S667 PolarHBondContact O-N 2.98Å; S663-S667 PolarHBondContact O-OG 3Å
664	L	92.1	Very high	90.3	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.084	28%	0.277	C	S	.	.	H	α-helix	trans	-58.9	-50.5	172.8	-79.1	173.4	0	0	0	110.8	I592 K625 F660 E661 S667 G668 F669 L671	I592-L664 HydrophobicContact CB-CD2 4.47Å; I592-L664 HydrophobicContact CG1-CD2 3.97Å; I592-L664 HydrophobicContact CG1-CG 4.17Å; I592-L664 HydrophobicContact CG2-CD2 4.19Å; K625-L664 HydrophobicContact CD-CD2 3.82Å; F660-L664 HydrophobicContact CD1-CD1 4.06Å; F660-L664 HydrophobicContact CE1-CD1 3.35Å; F660-L664 HydrophobicContact CE1-CG 4.06Å; F660-L664 HydrophobicContact CE2-CD1 4.21Å; F660-L664 HydrophobicContact CE2-CD2 4.25Å; F660-L664 HydrophobicContact CE2-CG 4.05Å; F660-L664 HydrophobicContact CZ-CD1 3.44Å; F660-L664 VanDerWaalsContact CZ-CD1 3.44Å; F660-L664 HydrophobicContact CZ-CD2 4.02Å; F660-L664 HydrophobicContact CZ-CG 3.77Å; F660-L664 PolarHBondContact O-N 2.82Å; E661-L664 WeakPolarHBondContact O-CB 3.48Å; E661-L664 PolarHBondContact O-N 3.23Å; L664-S667 PolarHBondContact O-N 2.94Å; L664-G668 PolarHBondContact O-N 2.92Å; L664-F669 HydrophobicContact CB-CB 4.31Å; L664-F669 HydrophobicContact CD2-CB 3.93Å; L664-F669 HydrophobicContact CD2-CD2 4.04Å; L664-F669 HydrophobicContact CD2-CG 4.06Å; L664-F669 PolarHBondContact O-N 3.04Å; L664-L671 HydrophobicContact CB-CD2 4.3Å; L664-L671 HydrophobicContact CD1-CD2 4.42Å
665	L	91.4	Very high	90.7	Very high	107 Å²	107	50.9 Å²	50.9	56%	0.56	28%	0.284	S	S	*	.	H	α-helix	trans	-61.6	-50.5	-179.7	-178.3	65.2	0	0	0	111.6	E661 T662 S667 G668	E661-L665 PolarHBondContact O-N 3.09Å; E661-L665 VanDerWaalsContact O-N 3.12Å; T662-L665 PolarHBondContact O-N 3.07Å; L665-S667 PolarHBondContact O-N 3.41Å; L665-G668 PolarHBondContact O-N 3.43Å
666	S	91.3	Very high	90.8	Very high	67 Å²	67	50.2 Å²	50.2	47%	0.469	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-21.1	179.4	56.5	0	0	0	0	113.9	T662 S663	T662-S666 WeakPolarHBondContact O-CB 3.44Å; T662-S666 PolarHBondContact O-N 2.92Å; T662-S666 PolarHBondContact O-OG 2.9Å; S663-S666 WeakPolarHBondContact CA-OG 3.46Å; S663-S666 PolarHBondContact O-OG 2.81Å
667	S	91.4	Very high	90.7	Very high	11 Å²	11	50.9 Å²	50.9	8%	0.077	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	1.6	174.5	-51.9	0	0	0	0	113.2	I592 A601 S663 L664 L665	I592-S667 PolarHBondContact N-OG 2.93Å; I592-S667 WeakPolarHBondContact O-CB 3.49Å; I592-S667 PolarHBondContact O-OG 2.83Å; A601-S667 WeakPolarHBondContact CB-O 3.44Å; S663-S667 WeakPolarHBondContact O-CB 3.35Å; S663-S667 PolarHBondContact O-N 2.98Å; S663-S667 PolarHBondContact O-OG 3Å; L664-S667 PolarHBondContact O-N 2.94Å; L665-S667 PolarHBondContact O-N 3.41Å
668	G	88.4	Confident	90.7	Very high	39 Å²	39	50.4 Å²	50.4	40%	0.402	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	13.1	175.5	0	0	0	0	0	115.4	L664 L665	L664-G668 PolarHBondContact O-N 2.92Å; L665-G668 PolarHBondContact O-N 3.43Å
669	F	89.3	Confident	90.5	Very high	10 Å²	10	52 Å²	52	4%	0.044	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-84.9	149.4	173.9	-66	-85.5	0	0	0	111.5	I592 T594 A601 K625 L664	I592-F669 HydrophobicContact CB-CD2 4.31Å; I592-F669 HydrophobicContact CB-CE2 3.97Å; I592-F669 HydrophobicContact CG2-CD2 4.05Å; I592-F669 HydrophobicContact CG2-CE2 3.48Å; I592-F669 VanDerWaalsContact CG2-CE2 3.48Å; I592-F669 HydrophobicContact CG2-CZ 4.08Å; T594-F669 HydrophobicContact CG2-CE1 4.09Å; T594-F669 HydrophobicContact CG2-CZ 3.51Å; A601-F669 HydrophobicContact CB-CD1 3.82Å; A601-F669 HydrophobicContact CB-CD2 3.9Å; A601-F669 HydrophobicContact CB-CE1 3.69Å; A601-F669 HydrophobicContact CB-CE2 3.76Å; A601-F669 HydrophobicContact CB-CG 3.95Å; A601-F669 HydrophobicContact CB-CZ 3.69Å; K625-F669 HydrophobicContact CD-CD1 4.34Å; K625-F669 HydrophobicContact CD-CE1 4.16Å; K625-F669 HydrophobicContact CD-CZ 4.33Å; K625-F669 VanDerWaalsContact CE-CD1 3.47Å; K625-F669 HydrophobicContact CG-CE1 4.3Å; K625-F669 HydrophobicContact CG-CZ 4.26Å; L664-F669 HydrophobicContact CB-CB 4.31Å; L664-F669 HydrophobicContact CD2-CB 3.93Å; L664-F669 HydrophobicContact CD2-CD2 4.04Å; L664-F669 HydrophobicContact CD2-CG 4.06Å; L664-F669 PolarHBondContact O-N 3.04Å
670	S	86.4	Confident	90.2	Very high	68 Å²	68	52.4 Å²	52.4	48%	0.476	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-72.7	138.8	168.9	-48.6	0	0	0	0	110.7
671	L	88.2	Confident	89.9	Confident	35 Å²	35	55.1 Å²	55.1	18%	0.183	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-73.1	132.8	168.3	-64.8	174.5	0	0	0	109.5	E661 L664 P674 H677	E661-L671 HydrophobicContact CB-CD2 4.14Å; L664-L671 HydrophobicContact CB-CD2 4.3Å; L664-L671 HydrophobicContact CD1-CD2 4.42Å; L671-P674 HydrophobicContact CB-CG 4.16Å; L671-H677 HydrophobicContact CD1-CB 4.06Å
672	E	84.9	Confident	89.7	Confident	162 Å²	162	61.1 Å²	61.1	76%	0.757	33%	0.328	S	S	*	.	S	Bend	trans	-66.5	-41.2	175.9	-68.7	171.1	-176.7	0	0	111
673	E	88.2	Confident	89.1	Confident	107 Å²	107	63.9 Å²	63.9	50%	0.5	33%	0.331	S	S	.	.			trans	-130.8	76.5	-177.3	-64.1	176.2	155.3	0	0	111.1	Q675 I676 H677	E673-Q675 PolarHBondContact O-N 2.98Å; E673-Q675 VanDerWaalsContact O-N 3.11Å; E673-I676 HydrophobicContact CB-CB 4.15Å; E673-I676 HydrophobicContact CB-CD1 4.3Å; E673-I676 HydrophobicContact CB-CG1 4.04Å; E673-I676 PolarHBondContact O-N 2.97Å; E673-I676 VanDerWaalsContact O-N 3.11Å; E673-I676 WeakPolarHBondContact OE2-CD1 3.49Å; E673-H677 PolarHBondContact O-N 2.89Å
674	P	91.3	Very high	88.6	Confident	79 Å²	79	67 Å²	67	51%	0.513	35%	0.346	S	S	.	.	H	α-helix	trans	-56	-32.1	-177.8	-24.7	32.8	0	0	0	113.6	L671 A678	L671-P674 HydrophobicContact CB-CG 4.16Å; P674-A678 WeakPolarHBondContact O-CB 3.48Å; P674-A678 PolarHBondContact O-N 3.21Å
675	Q	92	Very high	88.4	Confident	124 Å²	124	69.9 Å²	69.9	58%	0.579	36%	0.363	S	S	*	.	H	α-helix	trans	-68.7	-39.1	-179.9	-171.8	62.8	17.2	0	0	112.5	E673 A678 Q679	E673-Q675 PolarHBondContact O-N 2.98Å; E673-Q675 VanDerWaalsContact O-N 3.11Å; Q675-A678 PolarHBondContact O-N 2.8Å; Q675-Q679 VanDerWaalsContact O-CG 3.31Å; Q675-Q679 WeakPolarHBondContact O-CG 3.4Å; Q675-Q679 PolarHBondContact O-N 2.83Å
676	I	90.3	Very high	88.1	Confident	44 Å²	44	68.1 Å²	68.1	23%	0.226	35%	0.352	C	S	.	.	H	α-helix	trans	-69.4	-40.2	178.4	-59.7	-162.9	0	0	0	110	E673 A678 Q679 R680	E673-I676 HydrophobicContact CB-CB 4.15Å; E673-I676 HydrophobicContact CB-CD1 4.3Å; E673-I676 HydrophobicContact CB-CG1 4.04Å; E673-I676 PolarHBondContact O-N 2.97Å; E673-I676 VanDerWaalsContact O-N 3.11Å; E673-I676 WeakPolarHBondContact OE2-CD1 3.49Å; I676-A678 PolarHBondContact O-N 2.92Å; I676-Q679 PolarHBondContact O-N 3.09Å; I676-R680 PolarHBondContact O-N 2.88Å
677	H	90.3	Very high	87.5	Confident	20 Å²	20	71.9 Å²	71.9	9%	0.093	37%	0.366	C	S	.	.	H	α-helix	trans	-57.4	-48.2	172.1	-178.7	66.9	0	0	0	111.6	E661 L671 E673 Q679 R680 I681	E661-H677 WeakPolarHBondContact CB-ND1 3.34Å; E661-H677 IonicContact OE2-CE1 2.9Å; E661-H677 IonicContact OE2-CG 2.97Å; E661-H677 IonicContact OE2-ND1 3.3Å; E661-H677 PolarHBondContact OE2-ND1 3.03Å; L671-H677 HydrophobicContact CD1-CB 4.06Å; E673-H677 PolarHBondContact O-N 2.89Å; H677-Q679 PolarHBondContact O-N 2.82Å; H677-R680 WeakPolarHBondContact O-CB 3.32Å; H677-R680 PolarHBondContact O-N 3.08Å; H677-I681 WeakPolarHBondContact NE2-CD1 3.43Å; H677-I681 PolarHBondContact O-N 2.94Å; H677-I681 VanDerWaalsContact O-N 3.09Å
678	A	91	Very high	87.3	Confident	22 Å²	22	74.5 Å²	74.5	18%	0.182	39%	0.394	C	S	.	.	H	α-helix	trans	-61.8	-42.9	177.6	0	0	0	0	0	112.4	P674 Q675 I676 R680 I681 Y682	P674-A678 WeakPolarHBondContact O-CB 3.48Å; P674-A678 PolarHBondContact O-N 3.21Å; Q675-A678 PolarHBondContact O-N 2.8Å; I676-A678 PolarHBondContact O-N 2.92Å; A678-R680 VanDerWaalsContact C-N 3.31Å; A678-R680 PolarHBondContact O-N 3.36Å; A678-I681 WeakPolarHBondContact O-CB 3.48Å; A678-I681 PolarHBondContact O-N 2.83Å; A678-I681 VanDerWaalsContact O-N 3.16Å; A678-Y682 HydrophobicContact CB-CE2 4.05Å; A678-Y682 VanDerWaalsContact O-CD2 3.23Å; A678-Y682 WeakPolarHBondContact O-CD2 3.43Å; A678-Y682 VanDerWaalsContact O-CG 3.25Å; A678-Y682 PolarHBondContact O-N 2.89Å
679	Q	88	Confident	87.4	Confident	57 Å²	57	78.7 Å²	78.7	27%	0.266	41%	0.407	S	S	.	.	H	α-helix	trans	-59.2	-40.4	175.3	-76.4	174	-12.9	0	0	112.2	Q675 I676 H677 Y682 R683	Q675-Q679 VanDerWaalsContact O-CG 3.31Å; Q675-Q679 WeakPolarHBondContact O-CG 3.4Å; Q675-Q679 PolarHBondContact O-N 2.83Å; I676-Q679 PolarHBondContact O-N 3.09Å; H677-Q679 PolarHBondContact O-N 2.82Å; Q679-Y682 PolarHBondContact O-N 2.77Å; Q679-R683 WeakPolarHBondContact O-CG 3.42Å; Q679-R683 PolarHBondContact O-N 3.06Å
680	R	86.6	Confident	87.3	Confident	39 Å²	39	81.2 Å²	81.2	15%	0.147	44%	0.435	C	S	.	.	H	α-helix	trans	-63.8	-40.6	175.5	-168.5	174.5	-65.2	107.6	-0.3	111.8	I657 E661 I676 H677 A678 R683 M684	I657-R680 VanDerWaalsContact CG2-CZ 3.46Å; E661-R680 IonicContact OE1-CZ 3.93Å; E661-R680 IonicContact OE1-NH1 3.16Å; E661-R680 PolarHBondContact OE1-NH1 2.81Å; E661-R680 IonicContact OE1-NH2 2.66Å; E661-R680 IonicContact OE2-CZ 2.69Å; E661-R680 IonicContact OE2-NH1 2.65Å; E661-R680 PolarHBondContact OE2-NH1 2.82Å; I676-R680 PolarHBondContact O-N 2.88Å; H677-R680 WeakPolarHBondContact O-CB 3.32Å; H677-R680 PolarHBondContact O-N 3.08Å; A678-R680 VanDerWaalsContact C-N 3.31Å; A678-R680 PolarHBondContact O-N 3.36Å; R680-R683 PolarHBondContact O-N 3.06Å; R680-M684 WeakPolarHBondContact O-CG 3.48Å; R680-M684 PolarHBondContact O-N 3.14Å; R680-M684 VanDerWaalsContact O-N 3.11Å
681	I	88.6	Confident	87.1	Confident	65 Å²	65	82.3 Å²	82.3	33%	0.333	44%	0.435	S	S	.	.	H	α-helix	trans	-61.8	-47.8	172.9	-65.8	170.5	0	0	0	110.6	L658 H677 A678 R683 M684 V685	L658-I681 HydrophobicContact CD1-CG1 4.38Å; H677-I681 WeakPolarHBondContact NE2-CD1 3.43Å; H677-I681 PolarHBondContact O-N 2.94Å; H677-I681 VanDerWaalsContact O-N 3.09Å; A678-I681 WeakPolarHBondContact O-CB 3.48Å; A678-I681 PolarHBondContact O-N 2.83Å; A678-I681 VanDerWaalsContact O-N 3.16Å; I681-R683 VanDerWaalsContact C-N 3.3Å; I681-R683 PolarHBondContact O-N 3.45Å; I681-M684 HydrophobicContact CG1-CE 4.23Å; I681-M684 PolarHBondContact O-N 3.33Å; I681-M684 VanDerWaalsContact O-N 3.12Å; I681-V685 HydrophobicContact CG2-CG2 4.21Å; I681-V685 WeakPolarHBondContact O-CG2 3.33Å; I681-V685 PolarHBondContact O-N 2.66Å
682	Y	88	Confident	86	Confident	142 Å²	142	87.4 Å²	87.4	56%	0.557	46%	0.462	S	S	*	.	H	α-helix	trans	-59.1	-40.3	178.7	-60.2	-35.9	0	0	0	112.3	A678 Q679 V685 K686	A678-Y682 HydrophobicContact CB-CE2 4.05Å; A678-Y682 VanDerWaalsContact O-CD2 3.23Å; A678-Y682 WeakPolarHBondContact O-CD2 3.43Å; A678-Y682 VanDerWaalsContact O-CG 3.25Å; A678-Y682 PolarHBondContact O-N 2.89Å; Q679-Y682 PolarHBondContact O-N 2.77Å; Y682-V685 PolarHBondContact O-N 2.82Å; Y682-K686 WeakPolarHBondContact O-CB 3.49Å; Y682-K686 WeakPolarHBondContact O-CG 3.43Å; Y682-K686 PolarHBondContact O-N 2.83Å
683	R	81.2	Confident	84.6	Confident	123 Å²	123	83.2 Å²	83.2	46%	0.464	45%	0.445	S	S	.	.	H	α-helix	trans	-61.7	-42.7	174.1	-73.1	177.9	-175.7	167.4	2.6	112.4	Q679 R680 I681 K686 L687	Q679-R683 WeakPolarHBondContact O-CG 3.42Å; Q679-R683 PolarHBondContact O-N 3.06Å; R680-R683 PolarHBondContact O-N 3.06Å; I681-R683 VanDerWaalsContact C-N 3.3Å; I681-R683 PolarHBondContact O-N 3.45Å; R683-K686 WeakPolarHBondContact O-CB 3.44Å; R683-K686 PolarHBondContact O-N 3.38Å; R683-L687 WeakPolarHBondContact O-CB 3.29Å; R683-L687 PolarHBondContact O-N 3.46Å
684	M	82.1	Confident	83	Confident	70 Å²	70	85.1 Å²	85.1	35%	0.345	46%	0.459	S	S	.	.	H	α-helix	trans	-67.6	-37.2	176	-70.3	-170.3	-65.1	0	0	113	L658 R680 I681 L687 G688	L658-M684 HydrophobicContact CD1-CE 3.44Å; L658-M684 VanDerWaalsContact CD1-CE 3.44Å; L658-M684 HydrophobicContact CD1-SD 4.49Å; L658-M684 HydrophobicContact CD2-CE 3.32Å; L658-M684 HydrophobicContact CD2-SD 3.36Å; L658-M684 WeakPolarHBondContact CD2-SD 3.14Å; L658-M684 HydrophobicContact CG-CE 3.95Å; L658-M684 HydrophobicContact CG-SD 4.44Å; R680-M684 WeakPolarHBondContact O-CG 3.48Å; R680-M684 PolarHBondContact O-N 3.14Å; R680-M684 VanDerWaalsContact O-N 3.11Å; I681-M684 HydrophobicContact CG1-CE 4.23Å; I681-M684 PolarHBondContact O-N 3.33Å; I681-M684 VanDerWaalsContact O-N 3.12Å; M684-L687 PolarHBondContact O-N 2.91Å; M684-G688 PolarHBondContact O-N 2.74Å
685	V	86.6	Confident	80.8	Confident	76 Å²	76	88 Å²	88	46%	0.461	47%	0.47	S	S	.	.	H	α-helix	trans	-65.3	-43.5	175	172.6	0	0	0	0	110.1	I681 Y682 L687 G688 L689	I681-V685 HydrophobicContact CG2-CG2 4.21Å; I681-V685 WeakPolarHBondContact O-CG2 3.33Å; I681-V685 PolarHBondContact O-N 2.66Å; Y682-V685 PolarHBondContact O-N 2.82Å; V685-L687 PolarHBondContact O-N 2.98Å; V685-G688 PolarHBondContact O-N 3.41Å; V685-L689 HydrophobicContact CG1-CD1 3.75Å; V685-L689 HydrophobicContact CG1-CG 4.33Å; V685-L689 WeakPolarHBondContact O-CB 3.33Å; V685-L689 VanDerWaalsContact O-CG 3.27Å; V685-L689 WeakPolarHBondContact O-CG 3.42Å; V685-L689 PolarHBondContact O-N 2.9Å
686	K	85.3	Confident	78.2	Confident	71 Å²	71	87 Å²	87	31%	0.309	48%	0.477	S	S	.	.	H	α-helix	trans	-56.1	-48.8	172.5	-75.7	177.7	-179.6	-175.6	0	111.4	Y682 R683 G688 L689 G690 I691 D693	Y682-K686 WeakPolarHBondContact O-CB 3.49Å; Y682-K686 WeakPolarHBondContact O-CG 3.43Å; Y682-K686 PolarHBondContact O-N 2.83Å; R683-K686 WeakPolarHBondContact O-CB 3.44Å; R683-K686 PolarHBondContact O-N 3.38Å; K686-G688 PolarHBondContact O-N 2.9Å; K686-L689 CarbonylContact O-C 3.54Å; K686-L689 PolarHBondContact O-N 3.46Å; K686-L689 VanDerWaalsContact O-N 3.16Å; K686-G690 PolarHBondContact O-N 2.92Å; K686-I691 HydrophobicContact CB-CB 4.03Å; K686-I691 HydrophobicContact CB-CG2 4.5Å; K686-I691 HydrophobicContact CG-CB 4.22Å; K686-I691 HydrophobicContact CG-CD1 4.39Å; K686-I691 HydrophobicContact CG-CG2 4.26Å; K686-I691 PolarHBondContact O-N 3.23Å; K686-D693 VanDerWaalsContact CD-OD2 3.26Å; K686-D693 WeakPolarHBondContact CD-OD2 3.47Å; K686-D693 IonicContact NZ-OD1 2.62Å; K686-D693 PolarHBondContact NZ-OD1 3.49Å; K686-D693 IonicContact NZ-OD2 3.99Å; K686-D693 PolarHBondContact NZ-OD2 2.94Å; K686-D693 VanDerWaalsContact NZ-OD2 3.08Å
687	L	80.5	Confident	75.8	Confident	146 Å²	146	91.2 Å²	91.2	76%	0.764	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-41.5	178.1	-170.5	144.7	0	0	0	112.3	R683 M684 V685 L689 G690	R683-L687 WeakPolarHBondContact O-CB 3.29Å; R683-L687 PolarHBondContact O-N 3.46Å; M684-L687 PolarHBondContact O-N 2.91Å; V685-L687 PolarHBondContact O-N 2.98Å; L687-L689 VanDerWaalsContact C-N 3.28Å; L687-L689 PolarHBondContact O-N 2.91Å; L687-G690 PolarHBondContact O-N 3.1Å
688	G	86.8	Confident	73.4	Confident	66 Å²	66	97.5 Å²	97.5	68%	0.68	53%	0.533	S	S	*	.	H	α-helix	trans	-68.6	-24	176.1	0	0	0	0	0	114.3	M684 V685 K686	M684-G688 PolarHBondContact O-N 2.74Å; V685-G688 PolarHBondContact O-N 3.41Å; K686-G688 PolarHBondContact O-N 2.9Å
689	L	90.7	Very high	70.9	Confident	126 Å²	126	101.8 Å²	101.8	66%	0.66	55%	0.552	S	S	*	*	H	α-helix	trans	-95.9	-1.3	176.3	-66	176.4	0	0	0	113.5	V685 K686 L687 I691	V685-L689 HydrophobicContact CG1-CD1 3.75Å; V685-L689 HydrophobicContact CG1-CG 4.33Å; V685-L689 WeakPolarHBondContact O-CB 3.33Å; V685-L689 VanDerWaalsContact O-CG 3.27Å; V685-L689 WeakPolarHBondContact O-CG 3.42Å; V685-L689 PolarHBondContact O-N 2.9Å; K686-L689 CarbonylContact O-C 3.54Å; K686-L689 PolarHBondContact O-N 3.46Å; K686-L689 VanDerWaalsContact O-N 3.16Å; L687-L689 VanDerWaalsContact C-N 3.28Å; L687-L689 PolarHBondContact O-N 2.91Å; L689-I691 VanDerWaalsContact C-N 3.34Å; L689-I691 HydrophobicContact CB-CD1 4.17Å; L689-I691 HydrophobicContact CB-CG1 4.15Å; L689-I691 HydrophobicContact CD1-CD1 4.36Å
690	G	85.9	Confident	68.4	Low	63 Å²	63	106.7 Å²	106.7	65%	0.649	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.4	27.8	-178.1	0	0	0	0	0	114.2	K686 L687	K686-G690 PolarHBondContact O-N 2.92Å; L687-G690 PolarHBondContact O-N 3.1Å
691	I	83.5	Confident	66	Low	91 Å²	91	109.1 Å²	109.1	47%	0.467	60%	0.596	S	S	.	*			trans	-86	107.2	173.7	-57.3	172.6	0	0	0	107.3	K686 L689 D693	K686-I691 HydrophobicContact CB-CB 4.03Å; K686-I691 HydrophobicContact CB-CG2 4.5Å; K686-I691 HydrophobicContact CG-CB 4.22Å; K686-I691 HydrophobicContact CG-CD1 4.39Å; K686-I691 HydrophobicContact CG-CG2 4.26Å; K686-I691 PolarHBondContact O-N 3.23Å; L689-I691 VanDerWaalsContact C-N 3.34Å; L689-I691 HydrophobicContact CB-CD1 4.17Å; L689-I691 HydrophobicContact CB-CG1 4.15Å; L689-I691 HydrophobicContact CD1-CD1 4.36Å; I691-D693 PolarHBondContact O-N 2.79Å
692	D	63.7	Low	63.3	Low	142 Å²	142	110.3 Å²	110.3	76%	0.759	61%	0.61	S	S	*	*			trans	-63.8	117.7	174.4	-84	-32.9	0	0	0	109.9	D694	D692-D694 VanDerWaalsContact C-N 3.3Å; D692-D694 PolarHBondContact O-N 3.34Å
693	D	57.1	Low	60.5	Low	74 Å²	74	110.1 Å²	110.1	40%	0.396	62%	0.623	S	S	.	*			trans	-85.8	74.7	173.3	-123.3	-3.5	0	0	0	107.9	K686 I691 D695	K686-D693 VanDerWaalsContact CD-OD2 3.26Å; K686-D693 WeakPolarHBondContact CD-OD2 3.47Å; K686-D693 IonicContact NZ-OD1 2.62Å; K686-D693 PolarHBondContact NZ-OD1 3.49Å; K686-D693 IonicContact NZ-OD2 3.99Å; K686-D693 PolarHBondContact NZ-OD2 2.94Å; K686-D693 VanDerWaalsContact NZ-OD2 3.08Å; I691-D693 PolarHBondContact O-N 2.79Å; D693-D695 PolarHBondContact O-N 3.41Å
694	D	53.3	Low	57.9	Low	148 Å²	148	111.9 Å²	111.9	79%	0.791	64%	0.636	S	S	*	*			trans	-74	-0.8	174.9	-91.1	-23.3	0	0	0	113.1	D692	D692-D694 VanDerWaalsContact C-N 3.3Å; D692-D694 PolarHBondContact O-N 3.34Å
695	D	45.9	Very low	55.3	Low	138 Å²	138	112.4 Å²	112.4	74%	0.738	65%	0.652	S	S	*	*			trans	-97.1	99.5	177.2	-77.7	-32.5	0	0	0	111.8	D693 D697	D693-D695 PolarHBondContact O-N 3.41Å; D695-D697 PolarHBondContact O-N 3.47Å
696	S	37	Very low	52.6	Low	105 Å²	105	115.1 Å²	115.1	73%	0.734	67%	0.669	S	S	*	*			trans	-67.7	67.4	171.3	59.6	0	0	0	0	112.8	L698	S696-L698 PolarHBondContact O-N 2.95Å
697	D	39	Very low	49.8	Very low	131 Å²	131	120.5 Å²	120.5	70%	0.701	70%	0.695	S	S	*	*			trans	-95.9	78.4	163.1	-79	-21.7	0	0	0	109.3	D695 I699	D695-D697 PolarHBondContact O-N 3.47Å; D697-I699 VanDerWaalsContact C-N 3.27Å; D697-I699 PolarHBondContact O-N 3.14Å
698	L	39.8	Very low	47.5	Very low	152 Å²	152	120.9 Å²	120.9	80%	0.796	70%	0.697	S	S	*	*			trans	-65.8	87.7	164.3	-75.1	164.2	0	0	0	108.6	S696 E700	S696-L698 PolarHBondContact O-N 2.95Å; L698-E700 PolarHBondContact O-N 3.06Å
699	I	39.9	Very low	44.8	Very low	113 Å²	113	123.2 Å²	123.2	58%	0.579	70%	0.699	S	S	*	*			trans	-74.1	90	153.8	-55.4	175.6	0	0	0	105.3	D697	D697-I699 VanDerWaalsContact C-N 3.27Å; D697-I699 PolarHBondContact O-N 3.14Å
700	E	35.6	Very low	41.9	Very low	160 Å²	160	121.6 Å²	121.6	75%	0.748	70%	0.704	S	S	*	*			trans	-54.6	132.1	159.5	-74.1	-171	160	0	0	107.5	L698 S702	L698-E700 PolarHBondContact O-N 3.06Å; E700-S702 PolarHBondContact O-N 3.03Å
701	P	36.7	Very low	39.4	Very low	89 Å²	89	123.8 Å²	123.8	58%	0.578	71%	0.71	S	S	*	*			trans	-61.4	115.3	169.5	25.3	-28.5	0	0	0	106.6	V703	P701-V703 PolarHBondContact O-N 3.45Å
702	S	30.3	Very low	36.8	Very low	91 Å²	91	126 Å²	126	64%	0.636	73%	0.728	S	S	*	*			trans	-60.1	113.3	172	54	0	0	0	0	107.1	E700 H704	E700-S702 PolarHBondContact O-N 3.03Å; S702-H704 PolarHBondContact O-N 3.23Å
703	V	28.8	Very low	35.3	Very low	138 Å²	138	124.3 Å²	124.3	84%	0.836	73%	0.727	S	S	*	*			trans	-69.3	80.5	172.9	-167.5	0	0	0	0	106.7	P701 A705	P701-V703 PolarHBondContact O-N 3.45Å; V703-A705 PolarHBondContact O-N 3.08Å
704	H	28.1	Very low	34.1	Very low	159 Å²	159	124.3 Å²	124.3	74%	0.736	74%	0.744	S	S	*	*			trans	-75.8	87.4	162.7	-84.1	-58.3	0	0	0	107.2	S702 T706	S702-H704 PolarHBondContact O-N 3.23Å; H704-T706 VanDerWaalsContact C-N 3.29Å; H704-T706 PolarHBondContact O-N 3.4Å
705	A	27.9	Very low	33.1	Very low	82 Å²	82	124.7 Å²	124.7	68%	0.678	75%	0.745	S	S	*	*			trans	-54	98.9	160.9	0	0	0	0	0	107.7	V703 E707	V703-A705 PolarHBondContact O-N 3.08Å; A705-E707 VanDerWaalsContact C-N 3.34Å; A705-E707 PolarHBondContact O-N 3.04Å; A705-E707 VanDerWaalsContact O-N 3.12Å
706	T	28.2	Very low	32.6	Very low	132 Å²	132	127 Å²	127	81%	0.81	75%	0.751	S	S	*	*			trans	-73.8	99.4	163.4	-5.1	0	0	0	0	104.9	H704 I708	H704-T706 VanDerWaalsContact C-N 3.29Å; H704-T706 PolarHBondContact O-N 3.4Å; T706-I708 PolarHBondContact O-N 3.4Å
707	E	26.8	Very low	32.3	Very low	185 Å²	185	129 Å²	129	86%	0.864	75%	0.754	S	S	*	*			trans	-53.9	102.9	172.4	-72.1	-178.6	158.3	0	0	108.7	A705	A705-E707 VanDerWaalsContact C-N 3.34Å; A705-E707 PolarHBondContact O-N 3.04Å; A705-E707 VanDerWaalsContact O-N 3.12Å
708	I	32.4	Very low	32.1	Very low	154 Å²	154	130.7 Å²	130.7	79%	0.79	76%	0.763	S	S	*	*			trans	-69.7	122.8	159.6	-57.6	174.1	0	0	0	104.8	T706 A710	T706-I708 PolarHBondContact O-N 3.4Å; I708-A710 PolarHBondContact O-N 3.25Å
709	P	30.7	Very low	31.7	Very low	114 Å²	114	131 Å²	131	74%	0.74	76%	0.76	S	S	*	*			trans	-60.2	116.9	179.1	23.4	-30.1	0	0	0	108.3	S711	P709-S711 VanDerWaalsContact C-N 3.32Å; P709-S711 PolarHBondContact O-N 3.47Å
710	A	30.2	Very low	31.4	Very low	92 Å²	92	132.3 Å²	132.3	76%	0.76	77%	0.768	S	S	*	*			trans	-63.8	95.5	171.4	0	0	0	0	0	108.1	I708 T712	I708-A710 PolarHBondContact O-N 3.25Å; A710-T712 VanDerWaalsContact C-N 3.33Å; A710-T712 PolarHBondContact O-N 3.49Å
711	S	32.6	Very low	31.5	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	77%	0.774	S	S	*	*			trans	-67.1	99.7	162.3	57.2	0	0	0	0	107.2	P709 S713	P709-S711 VanDerWaalsContact C-N 3.32Å; P709-S711 PolarHBondContact O-N 3.47Å; S711-S713 PolarHBondContact O-N 2.97Å
712	T	28.3	Very low	31.3	Very low	139 Å²	139	140 Å²	140	85%	0.853	79%	0.789	S	S	*	*			trans	-53.6	103.5	166	42.8	0	0	0	0	109.9	A710	A710-T712 VanDerWaalsContact C-N 3.33Å; A710-T712 PolarHBondContact O-N 3.49Å
713	S	32.6	Very low	31.7	Very low	106 Å²	106	144.1 Å²	144.1	74%	0.741	80%	0.798	S	S	*	*			trans	-106.7	91.8	155.6	58.7	0	0	0	0	107.3	S711 I715	S711-S713 PolarHBondContact O-N 2.97Å; S713-I715 PolarHBondContact O-N 3.41Å
714	G	32.8	Very low	32.1	Very low	73 Å²	73	146.6 Å²	146.6	75%	0.753	80%	0.8	S	S	*	*			trans	-58.8	124.4	161.5	0	0	0	0	0	108.3	Q716	G714-Q716 PolarHBondContact O-N 3.2Å; G714-Q716 VanDerWaalsContact O-N 3.15Å
715	I	32	Very low	32.8	Very low	157 Å²	157	144.8 Å²	144.8	81%	0.805	80%	0.8	S	S	*	*			trans	-63.4	108.6	167.2	-63.3	166.6	0	0	0	106.2	S713	S713-I715 PolarHBondContact O-N 3.41Å
716	Q	34.1	Very low	33.4	Very low	187 Å²	187	152.1 Å²	152.1	87%	0.874	83%	0.828	S	S	*	*			trans	-125.9	121.6	153.5	-92.3	-178.3	-19.4	0	0	107.1	G714	G714-Q716 PolarHBondContact O-N 3.2Å; G714-Q716 VanDerWaalsContact O-N 3.15Å
717	D	31.9	Very low	33.6	Very low	147 Å²	147	153.1 Å²	153.1	79%	0.786	83%	0.829	S	S	*	*			trans	-43.9	131	172.2	-58.3	-57.6	0	0	0	111
718	D	34.7	Very low	34	Very low	166 Å²	166	151.4 Å²	151.4	89%	0.888	83%	0.827	S	S	*	*			trans	-153.9	126.1	136.6	-113.4	-26.1	0	0	0	111.1
719	E	31.7	Very low	34.1	Very low	159 Å²	159	151.3 Å²	151.3	74%	0.743	83%	0.829	S	S	*	*			trans	-65.7	160.7	176.6	-59.4	175	127.9	0	0	111.5
720	N	33.7	Very low	34.3	Very low	139 Å²	139	153.5 Å²	153.5	74%	0.743	83%	0.834	S	S	*	*			trans	69.8	107.5	153.3	-59.9	-39.9	0	0	0	117.5
721	R	36.3	Very low	34.5	Very low	231 Å²	231	157.3 Å²	157.3	87%	0.872	84%	0.839	S	S	*	*				166.2	135.7	90.9	-113.7	167.3	159.3	153.4	-7.6	111.1
722	M	33.9	Very low	34.6	Very low	181 Å²	181	160.5 Å²	160.5	89%	0.892	84%	0.844	S	S	*	*			trans	-53.7	144.6	155.4	-61.7	-179.5	-164.3	0	0	110
723	E	38.8	Very low	35.1	Very low	176 Å²	176	162.1 Å²	162.1	82%	0.822	84%	0.843	S	S	*	*			trans	-159.8	122.1	136.2	-109.9	165.7	-152.6	0	0	109.5
724	E	35.7	Very low	35.3	Very low	190 Å²	190	166.4 Å²	166.4	89%	0.888	85%	0.851	S	S	*	*			trans	-61.3	140.3	160.6	-63.8	172	143.8	0	0	109.3
725	V	44	Very low	35.5	Very low	122 Å²	122	174.2 Å²	174.2	74%	0.739	86%	0.859	S	S	*	*			trans	-147.6	116.4	149.9	-167.6	0	0	0	0	109.8
726	D	38.8	Very low	35.8	Very low	235 Å²	235	175.7 Å²	175.7	100%	1.257	86%	0.864	S	S	*	*			trans	62	0	158.6	-59.5	-23	0	0	0	122.5

Retrieved 726 of 726 residues in 2687.8 ms (Link to these results)

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